4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
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4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
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CAS No:
139756-02-8
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Formula:
C8H14N4O
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Chemical Name:
4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
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Synonyms:
1H-Pyrazole-5-carboxamide,4-amino-1-methyl-3-propyl-;4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide;4-Amino-1-methyl-3-propylpyrazole-5-carboxamide;4-Amino-2-methyl-5-propyl-2H-pyrazole-3-carboxamide
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CAS No:
Description
Off-White Solid
4-amino-1-methyl-3-propylpyrazole-5-carboxamide is a multi-substituted pyrazolecarboxamide used in the industrial synthesis of sildenafil. It is a member of pyrazoles and a monocarboxylic acid amide.
4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide Basic Attributes
182.22
182.22
1533716-785-6
DTXSID10391592
2933199090
Characteristics
86.9
0.5
1.32±0.1 g/cm3(Predicted)
98 °C
325.9±42.0 °C(Predicted)
150.9±27.9 °C
1.619
Refrigerator
0.000223mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (97.56%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide Use and Manufacturing
To a solution of I-06a (10 g, 47.17 mmol) was dissolved in methanol (100 mL), then Pd/C (5 g) was added into the reaction mixture, and stirred at 30 °C under 50 Psi (345 kPa) at H2 atomsphere overnight. The reaction mixture was filtrated and the filtrate was concentrated under vacuo to give I-07a (8.5 g, 98.83percent yield). ESI-MS (Mi-i): 183 calc. for C8H14N40: 182.1.Preparation of intermediate l-07a: 4-Amino-1 -methyl-3-propyl-1 /-/-pyrazole-5- carboxamide To a solution of l-06a (10 g, 47.17 mmol) was dissolved in methanol (100 ml_), then Pd/C (5 g) was added into the reaction mixture, and stirred at 30 °C under 50 Psi (345 kPa) at H21.2 g of 4-nitro-1-methyl-3-n-propylpyrazole-5-carboxamide, 150 mL of [bmim][PFStep 6: Synthesis of 4-amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide:- 1- methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxamide (11.0 gin 5.1 m.ml) was dissolved in 40 ml EtOH/H20 (3:1), added Fe powder (8.7 gm 15.5 m.ml) and NH4C1 (2.75gm 5.1 m.ml). The mixture was heated up to 80 °C for 4.5 hours. The reaction mixture wascooled to 25 °C and filtered through celite and filterate was concentrated under vacuum. Trituration of the residue with either gave the 4-amino-l-methyl-3-propyl-1H-pyrazoe- 5-carboxamide as an off-white solid; Yield 88percent. ‘H NMR (400 MHz, CDC13) S 9.0l(s, 2H) 6.6(s, 2H) 4.10 (s, 3H) 2.50 (t, J=7.6Hz 3H) 1.70 (m, 2H) 1.02(t, J=7.6Hz, 3H).MASS: ESI[M+H]: 183.14
A potent hypolipidemic agent.A possible inhibitor of phosphodiesterase 1
Computed Properties
Molecular Weight:182.22
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:182.11676108
Monoisotopic Mass:182.11676108
Topological Polar Surface Area:86.9
Heavy Atom Count:13
Complexity:197
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
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