5-(Trifluoromethyl)pyrazole-3-carboxamide - CAS 1276541-94-6

Catalog:	BB006817
Product Name:	5-(Trifluoromethyl)pyrazole-3-carboxamide
CAS:	1276541-94-6
Synonyms:	5-(trifluoromethyl)-1H-pyrazole-3-carboxamide; 5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

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Computed Properties

IUPAC Name:	5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
Description:	5-(Trifluoromethyl)pyrazole-3-carboxamide (CAS# 1276541-94-6) is a useful research chemical.
Molecular Weight:	179.10
Molecular Formula:	C5H4F3N3O
Canonical SMILES:	C1=C(NN=C1C(=O)N)C(F)(F)F
InChI:	InChI=1S/C5H4F3N3O/c6-5(7,8)3-1-2(4(9)12)10-11-3/h1H,(H2,9,12)(H,10,11)
InChI Key:	ZGCQBYSIGOKBNS-UHFFFAOYSA-N
LogP:	1.22770

Publication Number	Title	Priority Date
WO-2020226482-A1	Synergistic compositions for controlling plant pathogens with chitinolytic microorganisms / organic acid combinations and method of use thereof	20190509
BR-112019022137-A2	USES OF COMPOUNDS, COMPOUNDS OF FORMULA I, AGROCHEMICAL COMPOSITION AND METHOD TO COMBAT PHYTOPATHOGEN HARMFUL FUNGI	20170504
BR-112019023117-A2	FUNGICIDAL MIXTURE, AGRICULTURAL COMPOSITION, USE OF THE MIXTURE AND METHOD TO CONTROL PHYTOPATHOGENIC HARMFUL FUNGI	20170502
BR-112019019413-A2	compounds, agrochemical composition, use of compounds and method to combat harmful phytopathogenic fungi	20170407
BR-112019012355-A2	pyrazole derivatives as malt1 inhibitors	20161221

PMID	Publication Date	Title	Journal
11170646	20010215	Discovery of 1-[3-(aminomethyl)phenyl]-N-3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423), a highly potent, selective, and orally bioavailable inhibitor of blood coagulation factor Xa	Journal of medicinal chemistry

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Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.03064625
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	179.03064625
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3