1-(4-chlorophenyl)-3-phenylpyrazole-4-carbaldehyde

C16H11ClN2O — CID 3775241

IUPAC1-(4-chlorophenyl)-3-phenylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H11ClN2O/c17-14-6-8-15(9-7-14)19-10-13(11-20)16(18-19)12-4-2-1-3-5-12/h1-11H
InChIKeyFFROWSGMCWMYFW-UHFFFAOYSA-N
MW282.73 g/mol
LogP4.01
Rot. Bonds3

About 1-(4-chlorophenyl)-3-phenylpyrazole-4-carbaldehyde

1-(4-chlorophenyl)-3-phenylpyrazole-4-carbaldehyde (PubChem CID 3775241) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-phenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-phenylpyrazole-4-carbaldehyde
PubChem CID3775241
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name1-(4-chlorophenyl)-3-phenylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H11ClN2O/c17-14-6-8-15(9-7-14)19-10-13(11-20)16(18-19)12-4-2-1-3-5-12/h1-11H
InChIKeyFFROWSGMCWMYFW-UHFFFAOYSA-N
XLogP4.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-3-phenylpyrazole-4-carbaldehyde 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-(4-chlorophenyl)-3-phenylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(4-chlorophenyl)-3-phenylpyrazole-4-carbaldehyde (CID 3775241) is 1-(4-chlorophenyl)-3-phenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(4-chlorophenyl)-3-phenylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(4-chlorophenyl)-3-phenylpyrazole-4-carbaldehyde is O=Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-phenylpyrazole-4-carbaldehyde?
The InChIKey is FFROWSGMCWMYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-14-6-8-15(9-7-14)19-10-13(11-20)16(18-19)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 1-(4-chlorophenyl)-3-phenylpyrazole-4-carbaldehyde?
1-(4-chlorophenyl)-3-phenylpyrazole-4-carbaldehyde has a molecular weight of 282.73 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-phenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 3775241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).