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

C17H13ClN2O — CID 43324124

IUPAC3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
SMILESCc1ccc(-n2cc(C=O)c(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C17H13ClN2O/c1-12-5-7-16(8-6-12)20-10-14(11-21)17(19-20)13-3-2-4-15(18)9-13/h2-11H,1H3
InChIKeyFXVCFNRHVVYZQF-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.31
Rot. Bonds3

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

3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde (PubChem CID 43324124) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
PubChem CID43324124
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
SMILESCc1ccc(-n2cc(C=O)c(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C17H13ClN2O/c1-12-5-7-16(8-6-12)20-10-14(11-21)17(19-20)13-3-2-4-15(18)9-13/h2-11H,1H3
InChIKeyFXVCFNRHVVYZQF-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'}

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Related Compounds

1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
3-(3-chlorophenyl)-1-(2-methylphenyl)pyrazole-4-carbaldehyde
CID 43324136
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 1051907
3-(2,4-dichloro-5-fluorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 3728641
3-(3-chlorophenyl)-1-propylpyrazole-4-carbaldehyde
CID 61266481
1-(3-chlorophenyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carbaldehyde
CID 64593870
1,3-bis(3-bromophenyl)pyrazole-4-carbaldehyde
CID 43542676
3-(2,5-dimethylfuran-3-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 43141199
1-(3-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 43324156
1-(4-chlorophenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-4-carbaldehyde
CID 91871478
1-(4-chlorophenyl)-3-(4-ethoxyphenyl)pyrazole-4-carbaldehyde
CID 155010587
1-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde;2-[[2-methyl-5-(methylamino)phenyl]sulfanylamino]ethanol
CID 144897466

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde (CID 43324124) is 3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde is Cc1ccc(-n2cc(C=O)c(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde?
The InChIKey is FXVCFNRHVVYZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-12-5-7-16(8-6-12)20-10-14(11-21)17(19-20)13-3-2-4-15(18)9-13/h2-11H,1H3.
What are the key properties of 3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde?
3-(3-chlorophenyl)-1-(4-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-(4-methylphenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 43324124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).