(E)-2-cyano-N-cyclohexyl-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enamide

C20H22N4O — CID 840931

IUPAC(E)-2-cyano-N-cyclohexyl-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enamide
SMILESCc1ccc(-c2[nH]ncc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H22N4O/c1-14-7-9-15(10-8-14)19-17(13-22-24-19)11-16(12-21)20(25)23-18-5-3-2-4-6-18/h7-11,13,18H,2-6H2,1H3,(H,22,24)(H,23,25)/b16-11+
InChIKeyHHHXDQBIMDEZSR-LFIBNONCSA-N
MW334.42 g/mol
LogP3.74
Rot. Bonds4

About (E)-2-cyano-N-cyclohexyl-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enamide

(E)-2-cyano-N-cyclohexyl-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enamide (PubChem CID 840931) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (E)-2-cyano-N-cyclohexyl-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cyclohexyl-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enamide
PubChem CID840931
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(E)-2-cyano-N-cyclohexyl-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enamide
SMILESCc1ccc(-c2[nH]ncc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H22N4O/c1-14-7-9-15(10-8-14)19-17(13-22-24-19)11-16(12-21)20(25)23-18-5-3-2-4-6-18/h7-11,13,18H,2-6H2,1H3,(H,22,24)(H,23,25)/b16-11+
InChIKeyHHHXDQBIMDEZSR-LFIBNONCSA-N
XLogP3.74
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-cyano-N-cyclohexyl-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enamide 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 (E)-2-cyano-N-cyclohexyl-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cyclohexyl-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enamide (CID 840931) is (E)-2-cyano-N-cyclohexyl-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cyclohexyl-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cyclohexyl-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enamide is Cc1ccc(-c2[nH]ncc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of (E)-2-cyano-N-cyclohexyl-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enamide?
The InChIKey is HHHXDQBIMDEZSR-LFIBNONCSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-7-9-15(10-8-14)19-17(13-22-24-19)11-16(12-21)20(25)23-18-5-3-2-4-6-18/h7-11,13,18H,2-6H2,1H3,(H,22,24)(H,23,25)/b16-11+.
What are the key properties of (E)-2-cyano-N-cyclohexyl-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enamide?
(E)-2-cyano-N-cyclohexyl-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enamide has a molecular weight of 334.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-cyclohexyl-3-[5-(4-methylphenyl)-1H-pyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 840931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).