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

C17H14ClFN2O2 — CID 3840468

IUPAC[1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
SMILESCOc1ccc(-c2nn(-c3ccc(F)c(Cl)c3)cc2CO)cc1
InChIInChI=1S/C17H14ClFN2O2/c1-23-14-5-2-11(3-6-14)17-12(10-22)9-21(20-17)13-4-7-16(19)15(18)8-13/h2-9,22H,10H2,1H3
InChIKeySDMAORRINMSYNZ-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.83
Rot. Bonds4

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

[1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol (PubChem CID 3840468) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
PubChem CID3840468
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC Name[1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
SMILESCOc1ccc(-c2nn(-c3ccc(F)c(Cl)c3)cc2CO)cc1
InChIInChI=1S/C17H14ClFN2O2/c1-23-14-5-2-11(3-6-14)17-12(10-22)9-21(20-17)13-4-7-16(19)15(18)8-13/h2-9,22H,10H2,1H3
InChIKeySDMAORRINMSYNZ-UHFFFAOYSA-N
XLogP3.83
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-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 [1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol (CID 3840468) is [1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol is COc1ccc(-c2nn(-c3ccc(F)c(Cl)c3)cc2CO)cc1.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol?
The InChIKey is SDMAORRINMSYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c1-23-14-5-2-11(3-6-14)17-12(10-22)9-21(20-17)13-4-7-16(19)15(18)8-13/h2-9,22H,10H2,1H3.
What are the key properties of [1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol?
[1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol has a molecular weight of 332.76 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 3840468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).