5-Amino-1-(4-methoxybenzyl)pyrazole - CAS 3528-45-8

Catalog:	BB022590
Product Name:	5-Amino-1-(4-methoxybenzyl)pyrazole
CAS:	3528-45-8
Synonyms:	2-[(4-methoxyphenyl)methyl]-3-pyrazolamine; 2-[(4-methoxyphenyl)methyl]pyrazol-3-amine

Technical Data

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Computed Properties

IUPAC Name:	2-[(4-methoxyphenyl)methyl]pyrazol-3-amine
Description:	5-Amino-1-(4-methoxybenzyl)pyrazole (CAS# 3528-45-8) is a useful research chemical.
Molecular Weight:	203.24
Molecular Formula:	C11H13N3O
Canonical SMILES:	COC1=CC=C(C=C1)CN2C(=CC=N2)N
InChI:	InChI=1S/C11H13N3O/c1-15-10-4-2-9(3-5-10)8-14-11(12)6-7-13-14/h2-7H,8,12H2,1H3
InChI Key:	JEBIFRSQWFZFMT-UHFFFAOYSA-N
MDL:	MFCD03596770
LogP:	2.10340

Publication Number	Title	Priority Date
US-2020354373-A1	Hsp90 inhibitors and uses thereof	20190508
WO-2020227368-A1	Hsp90 inhibitors and uses thereof	20190508
JP-2021524453-A	Compound	20180518
US-2021188855-A1	Compounds	20180518
TW-201936614-A	Compounds and compositions as inhibitors of endosomal TOLL-LIKE receptors	20180226

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Related Functional Groups

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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:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.105862047
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.105862047
Rotatable Bond Count:	3
Topological Polar Surface Area:	53.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5