4-(1H-pyrazol-1-yl)phenol - CAS 16209-02-2

Catalog:	BB061828
Product Name:	4-(1H-pyrazol-1-yl)phenol
CAS:	16209-02-2
Synonyms:	4-(1H-pyrazol-1-yl)phenol; 4-pyrazol-1-ylphenol; 4-Pyrazol-1-yl-phenol; 4-pyrazole-1-yl-phenol; 4-Pyrazole-1-vi-phenol; 1-p-hydroxyphenyl-pyrazole; 4-(pyrazol-1-yl)-phenol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-pyrazol-1-ylphenol
Molecular Weight:	160.17
Molecular Formula:	C9H8N2O
Canonical SMILES:	C1=CN(N=C1)C2=CC=C(C=C2)O
InChI:	InChI=1S/C9H8N2O/c12-9-4-2-8(3-5-9)11-7-1-6-10-11/h1-7,12H
InChI Key:	ZAWSQVRNWFGLQP-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CN-113072542-A	ROR gamma t inhibitor and preparation method and application thereof	20200106
WO-2021139595-A1	RORÎ³T INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF	20200106
TW-202136238-A	RORÎ³t inhibitor and its preparation method and use	20200106
WO-2020162471-A1	Pyridone derivative	20190208
WO-2020010309-A1	Triazole glycolate oxidase inhibitors	20180706
AU-2019297523-A1	Triazole glycolate oxidase inhibitors	20180706
CA-3104529-A1	Triazole glycolate oxidase inhibitors	20180706
CN-112399873-A	Triazole glycolate oxidase inhibitor	20180706
IL-279952-D0	Triazole glycolate oxidase inhibitors	20180706
KR-20210041564-A	Triazole glycolate oxidase inhibitor	20180706

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.063662883
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	160.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	38Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8