1,3-diphenylpyrazole-4-carbaldehyde

C16H12N2O — CID 555820

IUPAC1,3-diphenylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C16H12N2O/c19-12-14-11-18(15-9-5-2-6-10-15)17-16(14)13-7-3-1-4-8-13/h1-12H
InChIKeyLZGBMIZREYTWRI-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.35
Rot. Bonds3

About 1,3-diphenylpyrazole-4-carbaldehyde

1,3-diphenylpyrazole-4-carbaldehyde (PubChem CID 555820) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1,3-diphenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1,3-diphenylpyrazole-4-carbaldehyde
PubChem CID555820
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name1,3-diphenylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C16H12N2O/c19-12-14-11-18(15-9-5-2-6-10-15)17-16(14)13-7-3-1-4-8-13/h1-12H
InChIKeyLZGBMIZREYTWRI-UHFFFAOYSA-N
XLogP3.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-diphenylpyrazole-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

Related Compounds

1-Phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
CID 877232
1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carbaldehyde
CID 877236
2-(1H-pyrazol-1-yl)benzaldehyde
CID 965866
4-(1H-Pyrazol-1-yl)benzaldehyde
CID 2776477
N4-(4-fluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2808002
1-benzyl-3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
CID 2063316
1-(4-Chlorophenyl)-3-phenyl-1H-pyrazole-4-carboxaldehyde
CID 3775241
1,5-diphenyl-1H-pyrazole-4-carboxylic acid
CID 3801066
3-(4-Chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 703492
2-phenyl-2H-indazole-7-carboxamide
CID 44549251
3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 700989
5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpyrazole-4-carbaldehyde?
The IUPAC name of 1,3-diphenylpyrazole-4-carbaldehyde (CID 555820) is 1,3-diphenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1,3-diphenylpyrazole-4-carbaldehyde?
The canonical SMILES for 1,3-diphenylpyrazole-4-carbaldehyde is O=Cc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1,3-diphenylpyrazole-4-carbaldehyde?
The InChIKey is LZGBMIZREYTWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-12-14-11-18(15-9-5-2-6-10-15)17-16(14)13-7-3-1-4-8-13/h1-12H.
What are the key properties of 1,3-diphenylpyrazole-4-carbaldehyde?
1,3-diphenylpyrazole-4-carbaldehyde has a molecular weight of 248.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 555820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).