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

C17H14ClFN2O — CID 3679816

IUPAC[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1ccc(-c2nn(-c3ccc(F)c(Cl)c3)cc2CO)cc1
InChIInChI=1S/C17H14ClFN2O/c1-11-2-4-12(5-3-11)17-13(10-22)9-21(20-17)14-6-7-16(19)15(18)8-14/h2-9,22H,10H2,1H3
InChIKeyZRBWLJAWQKOAJF-UHFFFAOYSA-N
MW316.76 g/mol
LogP4.13
Rot. Bonds3

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

[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol (PubChem CID 3679816) has the molecular formula C17H14ClFN2O and a molecular weight of 316.76 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
PubChem CID3679816
Molecular FormulaC17H14ClFN2O
Molecular Weight316.76 g/mol
Exact Mass316.08
IUPAC Name[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1ccc(-c2nn(-c3ccc(F)c(Cl)c3)cc2CO)cc1
InChIInChI=1S/C17H14ClFN2O/c1-11-2-4-12(5-3-11)17-13(10-22)9-21(20-17)14-6-7-16(19)15(18)8-14/h2-9,22H,10H2,1H3
InChIKeyZRBWLJAWQKOAJF-UHFFFAOYSA-N
XLogP4.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol (CID 3679816) is [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol is Cc1ccc(-c2nn(-c3ccc(F)c(Cl)c3)cc2CO)cc1.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol?
The InChIKey is ZRBWLJAWQKOAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O/c1-11-2-4-12(5-3-11)17-13(10-22)9-21(20-17)14-6-7-16(19)15(18)8-14/h2-9,22H,10H2,1H3.
What are the key properties of [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol?
[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol has a molecular weight of 316.76 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 3679816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).