(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol

C16H13FN2O — CID 61088951

IUPAC(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1cccc(F)c1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H13FN2O/c17-14-6-4-5-12(9-14)16(20)13-10-18-19(11-13)15-7-2-1-3-8-15/h1-11,16,20H
InChIKeyOWOLHXOROILIEU-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.09
Rot. Bonds3

About (3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol

(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol (PubChem CID 61088951) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is (3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
PubChem CID61088951
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1cccc(F)c1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H13FN2O/c17-14-6-4-5-12(9-14)16(20)13-10-18-19(11-13)15-7-2-1-3-8-15/h1-11,16,20H
InChIKeyOWOLHXOROILIEU-UHFFFAOYSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 107991164
(4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 63210077
(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088954
(3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088968
(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 62662141
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
3-bromo-1-[1-(3-fluorophenyl)pyrazol-4-yl]propane-1,2-diol
CID 171861355
(2-bromo-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 81499833
4-[1-chloro-2-(3-fluorophenyl)ethyl]-1-phenylpyrazole
CID 61086439
3-[1-(3-fluorophenyl)pyrazol-4-yl]-2,3-dihydroxypropanamide
CID 171869552
(3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684808
(2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088962

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol?
The IUPAC name of (3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol (CID 61088951) is (3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol is OC(c1cccc(F)c1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol?
The InChIKey is OWOLHXOROILIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-14-6-4-5-12(9-14)16(20)13-10-18-19(11-13)15-7-2-1-3-8-15/h1-11,16,20H.
What are the key properties of (3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol?
(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol has a molecular weight of 268.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 61088951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).