1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol

C16H13FN2O — CID 99938045

IUPAC1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2O)cc1
InChIInChI=1S/C16H13FN2O/c1-11-2-4-12(5-3-11)16-15(20)10-19(18-16)14-8-6-13(17)7-9-14/h2-10,20H,1H3
InChIKeyBFKNNICVIXZPPL-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.69
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol

1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol (PubChem CID 99938045) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol
PubChem CID99938045
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol
SMILESCc1ccc(-c2nn(-c3ccc(F)cc3)cc2O)cc1
InChIInChI=1S/C16H13FN2O/c1-11-2-4-12(5-3-11)16-15(20)10-19(18-16)14-8-6-13(17)7-9-14/h2-10,20H,1H3
InChIKeyBFKNNICVIXZPPL-UHFFFAOYSA-N
XLogP3.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol (CID 99938045) is 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol is Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol?
The InChIKey is BFKNNICVIXZPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-11-2-4-12(5-3-11)16-15(20)10-19(18-16)14-8-6-13(17)7-9-14/h2-10,20H,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol?
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol has a molecular weight of 268.29 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol is sourced from PubChem (CID 99938045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).