3-Chloropyrazole - CAS 14339-33-4

Catalog:	BB009575
Product Name:	3-Chloropyrazole
CAS:	14339-33-4
Synonyms:	5-chloro-1H-pyrazole; 5-chloro-1H-pyrazole

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-1H-pyrazole
Description:	3-Chloropyrazole (CAS# 14339-33-4) is used in preparation of aminoquinazolines as P2X3 inhibitors.
Molecular Weight:	102.52
Molecular Formula:	C3H3ClN2
Canonical SMILES:	C1=C(NN=C1)Cl
InChI:	InChI=1S/C3H3ClN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChI Key:	IJPFBRONCJOTTA-UHFFFAOYSA-N
LogP:	1.06310

Publication Number	Title	Priority Date
CN-112979627-A	Pyrazole bi-1, 2, 4-oxadiazole substituted benzamide compounds and preparation method and application thereof	20210308
CN-112939977-A	Halogenated nitrogen heterocyclic matrine derivative and preparation method and application thereof	20201127
CN-111253400-A	Halogenated pyrazole matrine derivative with insecticidal activity and preparation method and application thereof	20200226
CN-111253400-B	Halogenated pyrazole matrine derivative with insecticidal activity and preparation method and application thereof	20200226
CN-110845487-A	3- (triazole biphenyl methoxyl) pyrazole amide compound containing isoxazole structure and preparation method and application thereof	20191119

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Related Functional Groups

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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:	48.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	101.9984758
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	101.9984758
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2