1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde

C17H14N2O — CID 43324290

IUPAC1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde
SMILESCn1cc(C=O)c(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C17H14N2O/c1-19-11-16(12-20)17(18-19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyPKTHLENWOGHVJT-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.57
Rot. Bonds3

About 1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde

1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde (PubChem CID 43324290) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde
PubChem CID43324290
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde
SMILESCn1cc(C=O)c(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C17H14N2O/c1-19-11-16(12-20)17(18-19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyPKTHLENWOGHVJT-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde (CID 43324290) is 1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde is Cn1cc(C=O)c(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde?
The InChIKey is PKTHLENWOGHVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-19-11-16(12-20)17(18-19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of 1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde?
1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde has a molecular weight of 262.31 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 43324290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).