3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde

C17H13ClN2O — CID 43324136

IUPAC3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde
SMILESCc1ccccc1-n1cc(C=O)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H13ClN2O/c1-12-5-2-3-8-16(12)20-10-14(11-21)17(19-20)13-6-4-7-15(18)9-13/h2-11H,1H3
InChIKeyLLTDQCHOBPLMTE-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.31
Rot. Bonds3

About 3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde

3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde (PubChem CID 43324136) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde
PubChem CID43324136
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde
SMILESCc1ccccc1-n1cc(C=O)c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H13ClN2O/c1-12-5-2-3-8-16(12)20-10-14(11-21)17(19-20)13-6-4-7-15(18)9-13/h2-11H,1H3
InChIKeyLLTDQCHOBPLMTE-UHFFFAOYSA-N
XLogP4.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-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

3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 43324124
1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-4-carbaldehyde
CID 43324141
3-(3-chlorophenyl)-1-propylpyrazole-4-carbaldehyde
CID 61266481
4-(3-chlorophenyl)-1-(2-methylphenyl)triazole
CID 20977557
1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
CID 106758363
1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 43324156
1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 43324340
1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde
CID 64593870
3-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-4-amine
CID 83216271
3-(5-chlorothiophen-3-yl)-1-(2,4-dimethylphenyl)pyrazole-4-carbaldehyde
CID 106758411
1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde
CID 43542676

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde (CID 43324136) is 3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde is Cc1ccccc1-n1cc(C=O)c(-c2cccc(Cl)c2)n1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde?
The InChIKey is LLTDQCHOBPLMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-12-5-2-3-8-16(12)20-10-14(11-21)17(19-20)13-6-4-7-15(18)9-13/h2-11H,1H3.
What are the key properties of 3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde?
3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde has a molecular weight of 296.76 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 43324136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).