3-Amino-5-(trifluoromethyl)pyrazole - CAS 852443-61-9

Catalog:	BB037554
Product Name:	3-Amino-5-(trifluoromethyl)pyrazole
CAS:	852443-61-9
Synonyms:	5-(trifluoromethyl)-1H-pyrazol-3-amine; 5-(trifluoromethyl)-1H-pyrazol-3-amine

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Computed Properties

IUPAC Name:	5-(trifluoromethyl)-1H-pyrazol-3-amine
Description:	3-Amino-5-(trifluoromethyl)pyrazole (CAS# 852443-61-9 ) is a useful research chemical.
Molecular Weight:	151.09
Molecular Formula:	C4H4F3N3
Canonical SMILES:	C1=C(NN=C1N)C(F)(F)F
InChI:	InChI=1S/C4H4F3N3/c5-4(6,7)2-1-3(8)10-9-2/h1H,(H3,8,9,10)
InChI Key:	WVORIWCOSAWJJE-UHFFFAOYSA-N
Boiling Point:	289.984 °C at 760 mmHg
Density:	1.561 g/cm³
LogP:	0.94080

Publication Number	Title	Priority Date
WO-2021165834-A1	5-(3-(ethylsulfonyl)pyridin-2-yl)-pyrazolo[1,5-a]pyrimidine derivatives and related compounds as pesticide and insecticide agents for crop protection	20200218
CN-111039915-A	Raf kinase inhibitor, preparation method, pharmaceutical composition and application thereof	20191227
WO-2021134004-A1	Cyclic compounds and methods of using same	20191227
WO-2021115225-A1	Pyrazole-containing polycyclic derivative inhibitor, preparation method therefor and application thereof	20191210
WO-2020260871-A1	New compounds and methods	20190624

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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, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	123
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.03573163
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	151.03573163
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8