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2,4-Dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-3H-pyrazol-3-one

2,4-Dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-3H-pyrazol-3-one structure

CAS No:
30818-17-8
Formula:
C13H14N4O3
Chemical Name:
2,4-Dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-3H-pyrazol-3-one
Synonyms:
3H-Pyrazol-3-one,2,4-dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-;2-Pyrazolin-5-one,1-(p-nitrophenyl)-3-(1-pyrrolidinyl)-;2,4-Dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-3H-pyrazol-3-one;1-(p-Nitrophenyl)-3-pyrrolidino-5-pyrazolone;1-(4-Nitrophenyl)-3-pyrrolidino-2-pyrazolin-5-one;2-(4-Nitro-phenyl)-5-pyrrolidin-1-yl-2,4-dihydro-pyrazol-3-one;2-(4-Nitrophenyl)-5-pyrrolidin-1-yl-4H-pyrazol-3-one

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2,4-Dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-3H-pyrazol-3-one Basic Attributes

Molecular Weight：

274.28

Exact Mass：

274.28

EC Number：

250-347-9

DSSTox ID：

DTXSID3067576

Characteristics

PSA：

81.7 Å²

Density：

1.47±0.1 g/cm3

Melting Point：

205-208 °C(lit.)

Boiling Point：

444.4±47.0 °C(Predicted)

PKA：

4.37±0.50

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

GHS Classification：

|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|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,4-Dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-3H-pyrazol-3-one Use and Manufacturing

Manufacturing Info：

3H-Pyrazol-3-one, 2,4-dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-: INACTIVE

Computed Properties

Molecular Weight:274.28
XLogP3:1.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:274.10659032
Monoisotopic Mass:274.10659032
Topological Polar Surface Area:81.7
Heavy Atom Count:20
Complexity:431
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,4-Dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-3H-pyrazol-3-one

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

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