1-Phenyl-5-methyl-pyrazole-4-methanol - CAS 153863-35-5

Catalog:	BB010945
Product Name:	1-Phenyl-5-methyl-pyrazole-4-methanol
CAS:	153863-35-5
Synonyms:	(5-methyl-1-phenylpyrazol-4-yl)methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	(5-methyl-1-phenylpyrazol-4-yl)methanol
Description:	1-Phenyl-5-methyl-pyrazole-4-methanol (CAS# 153863-35-5) is a useful research chemical.
Molecular Weight:	188.23
Molecular Formula:	C11H12N2O
Canonical SMILES:	CC1=C(C=NN1C2=CC=CC=C2)CO
InChI:	InChI=1S/C11H12N2O/c1-9-10(8-14)7-12-13(9)11-5-3-2-4-6-11/h2-7,14H,8H2,1H3
InChI Key:	JTNWKZVHKLAHTN-UHFFFAOYSA-N
Boiling Point:	346 °C at 760 mmHg
Density:	1.14 g/cm³
Appearance:	White solid
MDL:	MFCD02682046
LogP:	1.67300

Publication Number	Title	Priority Date
WO-2019152731-A1	Androgen receptor antagonists	20180131
JP-2011157349-A	Pharmaceutical composition containing nitrogen-containing aromatic heterocyclyl compound	20100107
AU-2009269178-A1	Nitrogen-containing aromatic heterocyclyl compound	20080708
AU-2009269178-B2	Nitrogen-containing aromatic heterocyclyl compound	20080708
CA-2730078-A1	Nitrogen-containing aromatic heterocyclyl compound	20080708

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Complexity:	180
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.094963011
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	188.094963011
Rotatable Bond Count:	2
Topological Polar Surface Area:	38
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4