bis(3,4-diphenylpyrazol-1-yl)methanone

C31H22N4O — CID 58850875

IUPACbis(3,4-diphenylpyrazol-1-yl)methanone
SMILESO=C(n1cc(-c2ccccc2)c(-c2ccccc2)n1)n1cc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C31H22N4O/c36-31(34-21-27(23-13-5-1-6-14-23)29(32-34)25-17-9-3-10-18-25)35-22-28(24-15-7-2-8-16-24)30(33-35)26-19-11-4-12-20-26/h1-22H
InChIKeyXMURDZPXLLQBQF-UHFFFAOYSA-N
MW466.54 g/mol
LogP7.26
Rot. Bonds4

About bis(3,4-diphenylpyrazol-1-yl)methanone

bis(3,4-diphenylpyrazol-1-yl)methanone (PubChem CID 58850875) has the molecular formula C31H22N4O and a molecular weight of 466.54 g/mol. Its IUPAC name is bis(3,4-diphenylpyrazol-1-yl)methanone.

Molecular Properties

Compound Namebis(3,4-diphenylpyrazol-1-yl)methanone
PubChem CID58850875
Molecular FormulaC31H22N4O
Molecular Weight466.54 g/mol
Exact Mass466.18
IUPAC Namebis(3,4-diphenylpyrazol-1-yl)methanone
SMILESO=C(n1cc(-c2ccccc2)c(-c2ccccc2)n1)n1cc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C31H22N4O/c36-31(34-21-27(23-13-5-1-6-14-23)29(32-34)25-17-9-3-10-18-25)35-22-28(24-15-7-2-8-16-24)30(33-35)26-19-11-4-12-20-26/h1-22H
InChIKeyXMURDZPXLLQBQF-UHFFFAOYSA-N
XLogP7.26
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze bis(3,4-diphenylpyrazol-1-yl)methanone 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 bis(3,4-diphenylpyrazol-1-yl)methanone?
The IUPAC name of bis(3,4-diphenylpyrazol-1-yl)methanone (CID 58850875) is bis(3,4-diphenylpyrazol-1-yl)methanone.
What is the SMILES notation for bis(3,4-diphenylpyrazol-1-yl)methanone?
The canonical SMILES for bis(3,4-diphenylpyrazol-1-yl)methanone is O=C(n1cc(-c2ccccc2)c(-c2ccccc2)n1)n1cc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of bis(3,4-diphenylpyrazol-1-yl)methanone?
The InChIKey is XMURDZPXLLQBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N4O/c36-31(34-21-27(23-13-5-1-6-14-23)29(32-34)25-17-9-3-10-18-25)35-22-28(24-15-7-2-8-16-24)30(33-35)26-19-11-4-12-20-26/h1-22H.
What are the key properties of bis(3,4-diphenylpyrazol-1-yl)methanone?
bis(3,4-diphenylpyrazol-1-yl)methanone has a molecular weight of 466.54 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-diphenylpyrazol-1-yl)methanone is sourced from PubChem (CID 58850875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).