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

C17H14N2O — CID 3827316

IUPAC1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
SMILESCc1ccc(-n2cc(C=O)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H14N2O/c1-13-7-9-16(10-8-13)19-11-15(12-20)17(18-19)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyXWZQNZAELZZGBP-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.66
Rot. Bonds3

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

1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde (PubChem CID 3827316) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
PubChem CID3827316
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
SMILESCc1ccc(-n2cc(C=O)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H14N2O/c1-13-7-9-16(10-8-13)19-11-15(12-20)17(18-19)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyXWZQNZAELZZGBP-UHFFFAOYSA-N
XLogP3.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.66
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-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 1051907
3-(3-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 43324124
1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde
CID 39095577
3-(4-acetylphenyl)-1-phenylpyrazole-4-carbaldehyde
CID 152594279
(E)-3-[1,3-bis(4-methylphenyl)pyrazol-4-yl]-1-phenylprop-2-en-1-one
CID 118734043
(Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
CID 2282682
3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1-phenylprop-2-en-1-one
CID 5064210
3-(4-azidophenyl)-1-phenylpyrazole-4-carbaldehyde
CID 4060798
1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde
CID 43324290
3-(5-bromothiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 63567158
3-(1,3-diphenylpyrazol-4-yl)prop-2-enal
CID 169460172
3-(2,5-dimethylfuran-3-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 43141199

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde (CID 3827316) is 1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde is Cc1ccc(-n2cc(C=O)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde?
The InChIKey is XWZQNZAELZZGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-13-7-9-16(10-8-13)19-11-15(12-20)17(18-19)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde?
1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde has a molecular weight of 262.31 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 3827316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).