[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methanol

C16H12ClFN2O — CID 3820291

IUPAC[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClFN2O/c17-13-3-1-11(2-4-13)16-12(10-21)9-20(19-16)15-7-5-14(18)6-8-15/h1-9,21H,10H2
InChIKeyZIDGNENXVZTTKF-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.82
Rot. Bonds3

About [3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methanol

[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methanol (PubChem CID 3820291) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methanol
PubChem CID3820291
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClFN2O/c17-13-3-1-11(2-4-13)16-12(10-21)9-20(19-16)15-7-5-14(18)6-8-15/h1-9,21H,10H2
InChIKeyZIDGNENXVZTTKF-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methanol?
The IUPAC name of [3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methanol (CID 3820291) is [3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methanol is OCc1cn(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methanol?
The InChIKey is ZIDGNENXVZTTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-13-3-1-11(2-4-13)16-12(10-21)9-20(19-16)15-7-5-14(18)6-8-15/h1-9,21H,10H2.
What are the key properties of [3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methanol?
[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methanol has a molecular weight of 302.74 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 3820291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).