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Pyrazole-3-carboxamide

Pyrazole-3-carboxamide structure

CAS No:
33064-36-7
Formula:
C4H5N3O
Chemical Name:
Pyrazole-3-carboxamide
Synonyms:
1H-Pyrazole-3-carboxamide;Pyrazole-3-carboxamide

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Pyrazole-3-carboxamide Basic Attributes

Molecular Weight：

111.1

Exact Mass：

111.043261792

DSSTox ID：

DTXSID10570380

Characteristics

PSA：

71.77000

XLogP3：

0.20890

Density：

1.394

Melting Point：

159-160 °C

Boiling Point：

469.6±18.0 °C(Predicted)

Flash Point：

237.799ºC

Refractive Index：

1.612

PKA：

11.76±0.10

Safety Information

Hazard category：

IRRITANT

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

pyrazole-5-carboxamide

Computed Properties

Molecular Weight:111.10
XLogP3:-0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:111.043261792
Monoisotopic Mass:111.043261792
Topological Polar Surface Area:71.8
Heavy Atom Count:8
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Pyrazole-3-carboxamide

CAS No.: 33064-36-7

Content: 99.00%

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Guide of Pyrazole-3-carboxamide

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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