5-(Chloromethyl)-1-methylpyrazole Hydrochloride - CAS 1434128-56-9

Catalog:	BB009590
Product Name:	5-(Chloromethyl)-1-methylpyrazole Hydrochloride
CAS:	1434128-56-9
Synonyms:	5-(chloromethyl)-1-methylpyrazole;hydrochloride; 5-(chloromethyl)-1-methylpyrazole;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	5-(chloromethyl)-1-methylpyrazole;hydrochloride
Description:	5-(Chloromethyl)-1-methylpyrazole Hydrochloride (CAS# 1434128-56-9) is a useful research chemical.
Molecular Weight:	167.04
Molecular Formula:	C5H8Cl2N2
Canonical SMILES:	CN1C(=CC=N1)CCl.Cl
InChI:	InChI=1S/C5H7ClN2.ClH/c1-8-5(4-6)2-3-7-8;/h2-3H,4H2,1H3;1H
InChI Key:	PYQUBOXGUMHDLD-UHFFFAOYSA-N
LogP:	1.96090

Publication Number	Title	Priority Date
WO-2020243135-A1	Fused heterocyclic derivatives	20190528
WO-2017207387-A1	Spiro condensed azetidine derivatives as inhibitors of the menin-mml1 interaction	20160531
WO-2016162325-A1	Substituted 3,4-dihydropyrrolo[1,2-a]pyrazin-1 (2h)-one derivatives as kinase inhibitors	20150407
AU-2013241926-A1	New indanyloxydihydrobenzofuranylacetic acid derivatives and their use as GPR40 receptor agonists	20120326
EP-2831053-A1	New indanyloxydihydrobenzofuranylacetic acid derivatives and their use as gpr40 receptor agonists	20120326

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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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	76.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.0064537
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.0064537
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0