[1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazol-3-yl] formate

C16H9ClF2N2O2 — CID 91386227

IUPAC[1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazol-3-yl] formate
SMILESO=COc1cc(-c2cc(F)cc(F)c2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H9ClF2N2O2/c17-11-2-1-3-14(6-11)21-15(8-16(20-21)23-9-22)10-4-12(18)7-13(19)5-10/h1-9H
InChIKeyNLDRVXVTLXWIPM-UHFFFAOYSA-N
MW334.71 g/mol
LogP4.01
Rot. Bonds4

About [1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazol-3-yl] formate

[1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazol-3-yl] formate (PubChem CID 91386227) has the molecular formula C16H9ClF2N2O2 and a molecular weight of 334.71 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazol-3-yl] formate.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazol-3-yl] formate
PubChem CID91386227
Molecular FormulaC16H9ClF2N2O2
Molecular Weight334.71 g/mol
Exact Mass334.03
IUPAC Name[1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazol-3-yl] formate
SMILESO=COc1cc(-c2cc(F)cc(F)c2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H9ClF2N2O2/c17-11-2-1-3-14(6-11)21-15(8-16(20-21)23-9-22)10-4-12(18)7-13(19)5-10/h1-9H
InChIKeyNLDRVXVTLXWIPM-UHFFFAOYSA-N
XLogP4.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.71
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazol-3-yl] formate 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-chlorophenyl)-5-(3,5-difluorophenyl)pyrazol-3-yl] formate?
The IUPAC name of [1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazol-3-yl] formate (CID 91386227) is [1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazol-3-yl] formate.
What is the SMILES notation for [1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazol-3-yl] formate?
The canonical SMILES for [1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazol-3-yl] formate is O=COc1cc(-c2cc(F)cc(F)c2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of [1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazol-3-yl] formate?
The InChIKey is NLDRVXVTLXWIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N2O2/c17-11-2-1-3-14(6-11)21-15(8-16(20-21)23-9-22)10-4-12(18)7-13(19)5-10/h1-9H.
What are the key properties of [1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazol-3-yl] formate?
[1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazol-3-yl] formate has a molecular weight of 334.71 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-5-(3,5-difluorophenyl)pyrazol-3-yl] formate is sourced from PubChem (CID 91386227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).