(4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-phenyl-1H-pyrazol-5-one

C16H16N2O — CID 11402511

IUPAC(4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-phenyl-1H-pyrazol-5-one
SMILESO=C1NN=C(c2ccccc2)/C1=C\C1CC=CCC1
InChIInChI=1S/C16H16N2O/c19-16-14(11-12-7-3-1-4-8-12)15(17-18-16)13-9-5-2-6-10-13/h1-3,5-6,9-12H,4,7-8H2,(H,18,19)/b14-11+
InChIKeyRMEWBXIQKJIERH-SDNWHVSQSA-N
MW252.32 g/mol
LogP2.80
Rot. Bonds2

About (4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-phenyl-1H-pyrazol-5-one

(4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-phenyl-1H-pyrazol-5-one (PubChem CID 11402511) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-phenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name(4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-phenyl-1H-pyrazol-5-one
PubChem CID11402511
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-phenyl-1H-pyrazol-5-one
SMILESO=C1NN=C(c2ccccc2)/C1=C\C1CC=CCC1
InChIInChI=1S/C16H16N2O/c19-16-14(11-12-7-3-1-4-8-12)15(17-18-16)13-9-5-2-6-10-13/h1-3,5-6,9-12H,4,7-8H2,(H,18,19)/b14-11+
InChIKeyRMEWBXIQKJIERH-SDNWHVSQSA-N
XLogP2.80
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-phenyl-1H-pyrazol-5-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 (4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-phenyl-1H-pyrazol-5-one?
The IUPAC name of (4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-phenyl-1H-pyrazol-5-one (CID 11402511) is (4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-phenyl-1H-pyrazol-5-one.
What is the SMILES notation for (4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-phenyl-1H-pyrazol-5-one?
The canonical SMILES for (4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-phenyl-1H-pyrazol-5-one is O=C1NN=C(c2ccccc2)/C1=C\C1CC=CCC1.
What is the InChIKey of (4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-phenyl-1H-pyrazol-5-one?
The InChIKey is RMEWBXIQKJIERH-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16-14(11-12-7-3-1-4-8-12)15(17-18-16)13-9-5-2-6-10-13/h1-3,5-6,9-12H,4,7-8H2,(H,18,19)/b14-11+.
What are the key properties of (4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-phenyl-1H-pyrazol-5-one?
(4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-phenyl-1H-pyrazol-5-one has a molecular weight of 252.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-phenyl-1H-pyrazol-5-one is sourced from PubChem (CID 11402511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).