Pyrazole-3-carboxamide - CAS 33064-36-7

Catalog:	BB021537
Product Name:	Pyrazole-3-carboxamide
CAS:	33064-36-7
Synonyms:	1H-pyrazole-5-carboxamide; 1H-pyrazole-5-carboxamide

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Computed Properties

IUPAC Name:	1H-pyrazole-5-carboxamide
Description:	Pyrazole-3-carboxamide (CAS# 33064-36-7) is a useful research chemical.
Molecular Weight:	111.10
Molecular Formula:	C4H5N3O
Canonical SMILES:	C1=C(NN=C1)C(=O)N
InChI:	InChI=1S/C4H5N3O/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)(H,6,7)
InChI Key:	BNYCHCAYYYRJSH-UHFFFAOYSA-N
Boiling Point:	469.588 °C at 760 mmHg
Density:	1.394 g/cm³
MDL:	MFCD11036164
LogP:	0.20890

Publication Number	Title	Priority Date
WO-2015197188-A1	Pyrazolyl-based carboxamides as crac inhibitors	20140624
WO-2015181061-A1	5-oxa-2-azabicyclo[2.2.2]octan-4-yl and 5-oxa-2-azabicyclo[2.2.1]heptan-4-yl derivatives as taar1 modulators	20140528
WO-2015181139-A1	Process for the preparation of 5-fluoro-1h-pyrazoles starting from hexafluoropropene	20140527
US-2015322037-A1	Polysubstituted pyridyl pyrazolecarboxamide and preparation method and use thereof	20140507
WO-2015170218-A1	Tropomyosin-related kinase inhibitors	20140507

PMID	Publication Date	Title	Journal
32434089	20201001	Fluxapyroxad induces developmental delay in zebrafish (Danio rerio)	Chemosphere
22836682	20121101	Synthesis and discovery of novel pyrazole carboxamide derivatives as potential osteogenesis inducers	Archiv der Pharmazie
22647315	20120530	Synthesis and antifungal activity of novel pyrazolecarboxamide derivatives containing a hydrazone moiety	Chemistry Central journal
22480182	20120510	Non-nucleoside inhibitors of the measles virus RNA-dependent RNA polymerase: synthesis, structure-activity relationships, and pharmacokinetics	Journal of medicinal chemistry
22471744	20120416	Steric effects on uranyl complexation: synthetic, structural, and theoretical studies of carbamoyl pyrazole compounds of the uranyl(VI) ion	Inorganic chemistry

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.043261792
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	111.043261792
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6