4-Methyl-1H-indazole - CAS 3176-63-4

Catalog:	BB021050
Product Name:	4-Methyl-1H-indazole
CAS:	3176-63-4
Synonyms:	4-methyl-1H-indazole

Technical Data

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Computed Properties

IUPAC Name:	4-methyl-1H-indazole
Description:	4-Methyl-1H-indazole (CAS# 3176-63-4) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C8H8N2
Canonical SMILES:	CC1=C2C=NNC2=CC=C1
InChI:	InChI=1S/C8H8N2/c1-6-3-2-4-8-7(6)5-9-10-8/h2-5H,1H3,(H,9,10)
InChI Key:	ZYGYULIGJXJLRW-UHFFFAOYSA-N
Boiling Point:	285.1 °C at 760 mmHg
Purity:	95 %
Density:	1.186 g/cm³
MDL:	MFCD06200231
LogP:	1.87130

Publication Number	Title	Priority Date
WO-2021121371-A1	Kras g12c inhibitor and pharmaceutical use thereof	20191219
WO-2021115286-A1	Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatoms which can be used as shp2 inhibitor	20191210
WO-2021064142-A1	Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment or amelioration of cancer	20191002
WO-2021055747-A1	Therapeutic conjugates	20190919
WO-2021032148-A1	Aminopyrazine compounds as hpk1 inhibitor and the use thereof	20190821

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Related Functional Groups

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Indazole
[4498-67-3]
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[253801-04-6]
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[290368-00-2]
1-Boc-3-iodo-1H-indazole
[1956318-62-9]
3-Amino-5-[(3,5-difluorophenyl)difluoromethyl]-1H-indazole

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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:	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:	1.9