1H-Pyrazole-3-carboxylicacid,1-methyl-5-propyl-(9CI)
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1H-Pyrazole-3-carboxylicacid,1-methyl-5-propyl-(9CI)
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CAS No:
247583-70-6
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Formula:
C8H12N2O2
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Chemical Name:
1H-Pyrazole-3-carboxylicacid,1-methyl-5-propyl-(9CI)
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Synonyms:
1-Methyl-5-propyl-1H-pyrazol-3-carboxylic acid;1H-Pyrazole-3-carboxylicacid,1-methyl-5-propyl-(9CI);1H-Pyrazole-3-carboxylic acid, 1-methyl-5-propyl-
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CAS No:
1H-Pyrazole-3-carboxylicacid,1-methyl-5-propyl-(9CI) Basic Attributes
168.19
168.089877630
DTXSID20432506
2933199090
Characteristics
55.12000
1.07080
1.19±0.1 g/cm3
330.3±30.0 °C(Predicted)
153.544ºC
1.554
0mmHg at 25°C
4.11±0.10
Safety Information
20/21/22
7/47-36/37
|Warning|H315 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
1H-Pyrazole-3-carboxylicacid,1-methyl-5-propyl-(9CI) Use and Manufacturing
Intermediate in the production of Sildenafil and respective analogs.
Computed Properties
Molecular Weight:168.19
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:168.089877630
Monoisotopic Mass:168.089877630
Topological Polar Surface Area:55.1
Heavy Atom Count:12
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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