4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one

C22H23N3O — CID 135728402

IUPAC4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one
SMILESC/C(=N\C1CCCC1)c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C22H23N3O/c1-16(23-18-12-8-9-13-18)20-21(17-10-4-2-5-11-17)24-25(22(20)26)19-14-6-3-7-15-19/h2-7,10-11,14-15,18,24H,8-9,12-13H2,1H3/b23-16+
InChIKeyDJMNXUNNRKLGRW-XQNSMLJCSA-N
MW345.45 g/mol
LogP4.58
Rot. Bonds4

About 4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one

4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one (PubChem CID 135728402) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one
PubChem CID135728402
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one
SMILESC/C(=N\C1CCCC1)c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C22H23N3O/c1-16(23-18-12-8-9-13-18)20-21(17-10-4-2-5-11-17)24-25(22(20)26)19-14-6-3-7-15-19/h2-7,10-11,14-15,18,24H,8-9,12-13H2,1H3/b23-16+
InChIKeyDJMNXUNNRKLGRW-XQNSMLJCSA-N
XLogP4.58
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one 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 4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one?
The IUPAC name of 4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one (CID 135728402) is 4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one is C/C(=N\C1CCCC1)c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one?
The InChIKey is DJMNXUNNRKLGRW-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16(23-18-12-8-9-13-18)20-21(17-10-4-2-5-11-17)24-25(22(20)26)19-14-6-3-7-15-19/h2-7,10-11,14-15,18,24H,8-9,12-13H2,1H3/b23-16+.
What are the key properties of 4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one?
4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one has a molecular weight of 345.45 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-cyclopentyl-C-methylcarbonimidoyl)-2,5-diphenyl-1H-pyrazol-3-one is sourced from PubChem (CID 135728402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).