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

C16H12ClFN2O — CID 107991164

IUPAC(4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1ccc(Cl)c(F)c1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H12ClFN2O/c17-14-7-6-11(8-15(14)18)16(21)12-9-19-20(10-12)13-4-2-1-3-5-13/h1-10,16,21H
InChIKeyUPBNNLHPOVODHM-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.75
Rot. Bonds3

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

(4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol (PubChem CID 107991164) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
PubChem CID107991164
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name(4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1ccc(Cl)c(F)c1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H12ClFN2O/c17-14-7-6-11(8-15(14)18)16(21)12-9-19-20(10-12)13-4-2-1-3-5-13/h1-10,16,21H
InChIKeyUPBNNLHPOVODHM-UHFFFAOYSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 63210077
(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088951
(3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088968
(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 63895357
(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 62662141
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
(2-bromo-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 81499833
(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088954
(4-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 63960937
(2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088962
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
CID 63975266
(1-phenylpyrazol-4-yl)-(1H-pyrazol-5-yl)methanol
CID 114994793

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol?
The IUPAC name of (4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol (CID 107991164) is (4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol is OC(c1ccc(Cl)c(F)c1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol?
The InChIKey is UPBNNLHPOVODHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-14-7-6-11(8-15(14)18)16(21)12-9-19-20(10-12)13-4-2-1-3-5-13/h1-10,16,21H.
What are the key properties of (4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol?
(4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol has a molecular weight of 302.74 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 107991164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).