3-Chloro-1-methyl-1h-pyrazol-5-amine Hydrochloride - CAS 1312949-22-6

Catalog:	BB062541
Product Name:	3-Chloro-1-methyl-1h-pyrazol-5-amine Hydrochloride
CAS:	1312949-22-6
Synonyms:	3-CHLORO-1-METHYL-1H-PYRAZOL-5-AMINE HYDROCHLORIDE; 5-chloro-2-methylpyrazol-3-amine; hydrochloride; 3-chloro-1-methyl-1h-pyrazol-5-amine hcl; 5-Chloro-2-methylpyrazol-3-amine HCl

Technical Data

IUPAC Name:	5-chloro-2-methylpyrazol-3-aminehydrochloride
Description:	3-Chloro-1-methyl-1h-pyrazol-5-amine Hydrochloride is a reagent used in the preparation of heteroaryl-fused pyridines as orexin receptor inhibitors useful in the treatment of orexin receptor-mediated diseases.
Molecular Weight:	131.56 + (36.46)
Molecular Formula:	C4H6ClN3·(HCl)
Canonical SMILES:	CN1C(=CC(=N1)Cl)N.Cl
InChI:	InChI=1S/C4H6ClN3.ClH/c1-8-4(6)2-3(5)7-8/h2H,6H2,1H31H
InChI Key:	IBCTVRKXWOMDEP-UHFFFAOYSA-N
References:	Badiger, S., et al. From PCT Int. Appl. (2011), WO 2011076744 A1 20110630.

Complexity:	87.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.0017026
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	167.0017026
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0