5-(4-cyclohexylphenyl)imino-2-phenylpyrazolidin-3-one

C21H23N3O — CID 135435874

IUPAC5-(4-cyclohexylphenyl)imino-2-phenylpyrazolidin-3-one
SMILESO=C1C/C(=N\c2ccc(C3CCCCC3)cc2)NN1c1ccccc1
InChIInChI=1S/C21H23N3O/c25-21-15-20(23-24(21)19-9-5-2-6-10-19)22-18-13-11-17(12-14-18)16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H,22,23)
InChIKeyQKUSSWRSHPNKKR-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.71
Rot. Bonds3

About 5-(4-cyclohexylphenyl)imino-2-phenylpyrazolidin-3-one

5-(4-cyclohexylphenyl)imino-2-phenylpyrazolidin-3-one (PubChem CID 135435874) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-(4-cyclohexylphenyl)imino-2-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name5-(4-cyclohexylphenyl)imino-2-phenylpyrazolidin-3-one
PubChem CID135435874
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-(4-cyclohexylphenyl)imino-2-phenylpyrazolidin-3-one
SMILESO=C1C/C(=N\c2ccc(C3CCCCC3)cc2)NN1c1ccccc1
InChIInChI=1S/C21H23N3O/c25-21-15-20(23-24(21)19-9-5-2-6-10-19)22-18-13-11-17(12-14-18)16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H,22,23)
InChIKeyQKUSSWRSHPNKKR-UHFFFAOYSA-N
XLogP4.71
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-cyclohexylphenyl)imino-2-phenylpyrazolidin-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 5-(4-cyclohexylphenyl)imino-2-phenylpyrazolidin-3-one?
The IUPAC name of 5-(4-cyclohexylphenyl)imino-2-phenylpyrazolidin-3-one (CID 135435874) is 5-(4-cyclohexylphenyl)imino-2-phenylpyrazolidin-3-one.
What is the SMILES notation for 5-(4-cyclohexylphenyl)imino-2-phenylpyrazolidin-3-one?
The canonical SMILES for 5-(4-cyclohexylphenyl)imino-2-phenylpyrazolidin-3-one is O=C1C/C(=N\c2ccc(C3CCCCC3)cc2)NN1c1ccccc1.
What is the InChIKey of 5-(4-cyclohexylphenyl)imino-2-phenylpyrazolidin-3-one?
The InChIKey is QKUSSWRSHPNKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-21-15-20(23-24(21)19-9-5-2-6-10-19)22-18-13-11-17(12-14-18)16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H,22,23).
What are the key properties of 5-(4-cyclohexylphenyl)imino-2-phenylpyrazolidin-3-one?
5-(4-cyclohexylphenyl)imino-2-phenylpyrazolidin-3-one has a molecular weight of 333.44 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylphenyl)imino-2-phenylpyrazolidin-3-one is sourced from PubChem (CID 135435874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).