1-Isobutylpyrazol-4-amine - CAS 405548-42-7

Catalog:	BB024562
Product Name:	1-Isobutylpyrazol-4-amine
CAS:	405548-42-7
Synonyms:	1-(2-methylpropyl)-4-pyrazolamine; 1-(2-methylpropyl)pyrazol-4-amine

Technical Data

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Computed Properties

IUPAC Name:	1-(2-methylpropyl)pyrazol-4-amine
Description:	1-Isobutylpyrazol-4-amine (CAS# 405548-42-7) is a useful research chemical.
Molecular Weight:	139.20
Molecular Formula:	C7H13N3
Canonical SMILES:	CC(C)CN1C=C(C=N1)N
InChI:	InChI=1S/C7H13N3/c1-6(2)4-10-5-7(8)3-9-10/h3,5-6H,4,8H2,1-2H3
InChI Key:	SGUQYNMBZJPCLA-UHFFFAOYSA-N
MDL:	MFCD11128192
LogP:	1.70250

Publication Number	Title	Priority Date
WO-2020219168-A1	Small molecule bromodomain inhibitors and uses thereof	20190424
AU-2018394996-A1	Amino-methyl piperidine derivative as kinase inhibitor	20171228
KR-20190080541-A	Amino-methylpiperidine derivatives as kinase inhibitor	20171228
WO-2019132561-A1	Amino-methyl piperidine derivative as kinase inhibitor	20171228
AU-2018394996-A2	Amino-methyl piperidine derivative as kinase inhibitor	20171228

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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:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.110947427
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	139.110947427
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8