2-(1H-Pyrazol-3-yl)phenol - CAS 34810-67-8

Name: 2-(1H-Pyrazol-3-yl)phenol
Brand: BOC Sciences
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Catalog:	BB022299
Product Name:	2-(1H-Pyrazol-3-yl)phenol
CAS:	34810-67-8
Synonyms:	2-(1H-pyrazol-5-yl)phenol

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Computed Properties

IUPAC Name:	2-(1H-pyrazol-5-yl)phenol
Description:	2-(1H-Pyrazol-3-yl)phenol (CAS# 34810-67-8) is a useful research chemical.
Molecular Weight:	160.17
Molecular Formula:	C9H8N2O
Canonical SMILES:	C1=CC=C(C(=C1)C2=CC=NN2)O
InChI:	InChI=1S/C9H8N2O/c12-9-4-2-1-3-7(9)8-5-6-10-11-8/h1-6,12H,(H,10,11)
InChI Key:	LKTJPAUDNOBJAZ-UHFFFAOYSA-N
Boiling Point:	381.028 °C at 760 mmHg
Density:	1.285 g/cm³
Appearance:	White powder or crystalline powder
LogP:	1.78230

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Related Functional Groups

Pyrazoles

[1158353-54-8]C10H13N3O4S
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1225940-17-9]C11H9ClF3N3
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]C8H14N4
1-Cyclopentyl-1H-pyrazole-3,5-diamine

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

Publication Number	Title	Priority Date
US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021090245-A1	Pyrrolidine and piperidine compounds	20191106
CN-111848528-A	Compound for preventing and/or treating cancer and preparation method and application thereof	20190429
CN-111187213-A	Polyhalogenated 5- (2-hydroxyphenyl) pyrazole compound and preparation method and application thereof	20181115
CN-111187213-B	Polyhalogenated 5- (2-hydroxyphenyl) pyrazole compound and preparation method and application thereof	20181115

PMID	Publication Date	Title	Journal
22589014	20120618	Highly efficient redox isomerisation of allylic alcohols catalysed by pyrazole-based ruthenium(IV) complexes in water: mechanisms of bifunctional catalysis in water	Chemistry (Weinheim an der Bergstrasse, Germany)
21557560	20110606	Synthesis and structure of ruthenium(IV) complexes featuring N-heterocyclic ligands with an N-H group as the hydrogen-bond donor: hydrogen interactions in solution and in the solid state	Inorganic chemistry
19180597	20090101	Self-assembly of high-nuclearity copper cages: tricorne Cu21 and saddlelike cyclic Cu16	Chemistry (Weinheim an der Bergstrasse, Germany)
18665584	20080828	Structure based development of phenylimidazole-derived inhibitors of indoleamine 2,3-dioxygenase	Journal of medicinal chemistry

Complexity:	152
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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	160.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	48.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5