(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol

C16H12F2N2O — CID 62662141

IUPAC(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)c1)c1cccc(F)c1F
InChIInChI=1S/C16H12F2N2O/c17-14-8-4-7-13(15(14)18)16(21)11-9-19-20(10-11)12-5-2-1-3-6-12/h1-10,16,21H
InChIKeyPGDXDLIKTBQPPC-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.23
Rot. Bonds3

About (2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol

(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol (PubChem CID 62662141) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol
PubChem CID62662141
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)c1)c1cccc(F)c1F
InChIInChI=1S/C16H12F2N2O/c17-14-8-4-7-13(15(14)18)16(21)11-9-19-20(10-11)12-5-2-1-3-6-12/h1-10,16,21H
InChIKeyPGDXDLIKTBQPPC-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 81499833
(2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088962
(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088951
(2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 43322500
4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole
CID 61096147
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
(4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 63210077
(4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 107991164
1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486021
(3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088968
(2-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088379
(1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol
CID 114994793

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol?
The IUPAC name of (2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol (CID 62662141) is (2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol is OC(c1cnn(-c2ccccc2)c1)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol?
The InChIKey is PGDXDLIKTBQPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-14-8-4-7-13(15(14)18)16(21)11-9-19-20(10-11)12-5-2-1-3-6-12/h1-10,16,21H.
What are the key properties of (2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol?
(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol has a molecular weight of 286.28 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 62662141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).