3-Amino-5-cyclohexylpyrazole - CAS 81542-54-3

Catalog:	BB036666
Product Name:	3-Amino-5-cyclohexylpyrazole
CAS:	81542-54-3
Synonyms:	5-cyclohexyl-1H-pyrazol-3-amine; 5-cyclohexyl-1H-pyrazol-3-amine

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Computed Properties

IUPAC Name:	5-cyclohexyl-1H-pyrazol-3-amine
Description:	3-Amino-5-cyclohexylpyrazole (CAS# 81542-54-3 ) is a useful research chemical.
Molecular Weight:	165.24
Molecular Formula:	C9H15N3
Canonical SMILES:	C1CCC(CC1)C2=CC(=NN2)N
InChI:	InChI=1S/C9H15N3/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,10,11,12)
InChI Key:	FKGKCJWLTPEMRC-UHFFFAOYSA-N
Boiling Point:	381.9 °C at 760 mmHg
Density:	1.143 g/cm³
LogP:	1.96970

Publication Number	Title	Priority Date
CN-112778311-A	Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof	20191101
WO-2020178316-A1	5- or 7-azaindazoles as beta-lactamase inhibitors	20190305
AU-2018354777-A1	Novel Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors	20171027
WO-2019081343-A1	NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS	20171027
BR-112020008122-A2	new pyrazolo-pyrrole-pyrimidine-dione derivatives as p2x3 inhibitors	20171027

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.126597491
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	165.126597491
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1