1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole

C22H18N2 — CID 135063684

IUPAC1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole
SMILESCn1nc(-c2ccccc2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18N2/c1-24-22(16-21(23-24)19-10-6-3-7-11-19)20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2-16H,1H3
InChIKeyAYCVILZKVOPRIK-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.42
Rot. Bonds3

About 1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole

1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole (PubChem CID 135063684) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole
PubChem CID135063684
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole
SMILESCn1nc(-c2ccccc2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18N2/c1-24-22(16-21(23-24)19-10-6-3-7-11-19)20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2-16H,1H3
InChIKeyAYCVILZKVOPRIK-UHFFFAOYSA-N
XLogP5.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole?
The IUPAC name of 1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole (CID 135063684) is 1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole.
What is the SMILES notation for 1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole?
The canonical SMILES for 1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole is Cn1nc(-c2ccccc2)cc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole?
The InChIKey is AYCVILZKVOPRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-24-22(16-21(23-24)19-10-6-3-7-11-19)20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2-16H,1H3.
What are the key properties of 1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole?
1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole has a molecular weight of 310.40 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole is sourced from PubChem (CID 135063684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).