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

C16H13FN2O — CID 2876247

IUPAC[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O/c17-14-8-6-12(7-9-14)16-13(11-20)10-19(18-16)15-4-2-1-3-5-15/h1-10,20H,11H2
InChIKeyOKPDLCPGQCSFBZ-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.17
Rot. Bonds3

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

[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanol (PubChem CID 2876247) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanol
PubChem CID2876247
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O/c17-14-8-6-12(7-9-14)16-13(11-20)10-19(18-16)15-4-2-1-3-5-15/h1-10,20H,11H2
InChIKeyOKPDLCPGQCSFBZ-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanol?
The IUPAC name of [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanol (CID 2876247) is [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanol is OCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanol?
The InChIKey is OKPDLCPGQCSFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-14-8-6-12(7-9-14)16-13(11-20)10-19(18-16)15-4-2-1-3-5-15/h1-10,20H,11H2.
What are the key properties of [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanol?
[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanol has a molecular weight of 268.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 2876247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).