5-Methyl-1H-indazole - CAS 1776-37-0

Catalog:	BB013315
Product Name:	5-Methyl-1H-indazole
CAS:	1776-37-0
Synonyms:	5-methyl-1H-indazole

Technical Data

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Computed Properties

IUPAC Name:	5-methyl-1H-indazole
Description:	5-Methyl-1H-indazole (CAS# 1776-37-0) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C8H8N2
Canonical SMILES:	CC1=CC2=C(C=C1)NN=C2
InChI:	InChI=1S/C8H8N2/c1-6-2-3-8-7(4-6)5-9-10-8/h2-5H,1H3,(H,9,10)
InChI Key:	DCUNRLLJHAWKRZ-UHFFFAOYSA-N
Boiling Point:	285.1 °C at 760 mmHg
Density:	1.186 g/cm³
MDL:	MFCD01606235
LogP:	1.87130

Publication Number	Title	Priority Date
WO-2021120890-A1	Pyrazolyl derivatives useful as anti-cancer agents	20191220
WO-2021115286-A1	Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatoms which can be used as shp2 inhibitor	20191210
WO-2021101854-A1	Compounds and methods of preparing compounds s1p1 modulators	20191119
WO-2021067696-A1	Antagonists of the muscarinic acetylcholine receptor m4	20191004
WO-2021064142-A1	Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment or amelioration of cancer	20191002

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.068748264
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	132.068748264
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1