3-(2-Methoxyphenyl)pyrazol-5-amine - CAS 149246-82-2

Catalog:	BB010389
Product Name:	3-(2-Methoxyphenyl)pyrazol-5-amine
CAS:	149246-82-2
Synonyms:	5-(2-methoxyphenyl)-1H-pyrazol-3-amine; 5-(2-methoxyphenyl)-1H-pyrazol-3-amine

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Computed Properties

IUPAC Name:	5-(2-methoxyphenyl)-1H-pyrazol-3-amine
Description:	3-(2-Methoxyphenyl)pyrazol-5-amine (CAS# 149246-82-2) is a useful research chemical.
Molecular Weight:	189.21
Molecular Formula:	C10H11N3O
Canonical SMILES:	COC1=CC=CC=C1C2=CC(=NN2)N
InChI:	InChI=1S/C10H11N3O/c1-14-9-5-3-2-4-7(9)8-6-10(11)13-12-8/h2-6H,1H3,(H3,11,12,13)
InChI Key:	QRAXSEJMMGAXBS-UHFFFAOYSA-N
Boiling Point:	417 °C at 760 mmHg
Density:	1.24 g/cm³
LogP:	2.24870

Publication Number	Title	Priority Date
US-11091447-B2	UBE2K modulators and methods for their use	20200103
US-2021214320-A1	Ube2k modulators and methods for their use	20200103
WO-2021138540-A1	Polycyclic amides as ube2k modulators for treating cancer	20200103
BR-112019012927-A2	COMPOUND, USE OF A COMPOUND, COMBINATION OF A COMPOUND, PHARMACEUTICAL COMPOSITION AND DEVICE	20161221
US-10584128-B2	Bicyclic dihydropyrimidine-carboxamide derivatives as Rho-Kinase inhibitors	20161221

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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:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.090211983
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	189.090211983
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5