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[1-(4-Fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol

[1-(4-Fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol - CAS 3919-86-6

Catalog:	BB023877
Product Name:	[1-(4-Fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol
CAS:	3919-86-6
Synonyms:	3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid

Technical Data

Computed Properties

IUPAC Name:	3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid
Description:	[1-(4-Fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol (CAS# 3919-86-6) is used as a reactant in the preparation of acetylenic ketones from acid anhydrides and sodium phenylacetylene.
Molecular Weight:	206.22
Molecular Formula:	C11H11FN2O
Canonical SMILES:	C1=CC=C(C=C1)C2=CC(=NO2)CCC(=O)O
InChI:	InChI=1S/C12H11NO3/c14-12(15)7-6-10-8-11(16-13-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
InChI Key:	XESGOZDUEGZQTB-UHFFFAOYSA-N
LogP:	2.35880

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Pyrazoles

[1946823-77-3]
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[1082066-00-9]
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[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

Complexity:	238
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.07389321
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.07389321
Rotatable Bond Count:	4
Topological Polar Surface Area:	63.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8