2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide

C20H26N4O — CID 56642857

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
SMILESCC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C20H26N4O/c1-14(2)19-8-6-18(7-9-19)10-15(3)12-21-22-20(25)13-24-17(5)11-16(4)23-24/h6-12,14H,13H2,1-5H3,(H,22,25)/b15-10-,21-12+
InChIKeyJCDHVSCUADTDLR-ZNGUSHDYSA-N
MW338.46 g/mol
LogP3.83
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide (PubChem CID 56642857) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
PubChem CID56642857
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
SMILESCC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C20H26N4O/c1-14(2)19-8-6-18(7-9-19)10-15(3)12-21-22-20(25)13-24-17(5)11-16(4)23-24/h6-12,14H,13H2,1-5H3,(H,22,25)/b15-10-,21-12+
InChIKeyJCDHVSCUADTDLR-ZNGUSHDYSA-N
XLogP3.83
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide 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 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide (CID 56642857) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide is CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)Cn1nc(C)cc1C.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide?
The InChIKey is JCDHVSCUADTDLR-ZNGUSHDYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(2)19-8-6-18(7-9-19)10-15(3)12-21-22-20(25)13-24-17(5)11-16(4)23-24/h6-12,14H,13H2,1-5H3,(H,22,25)/b15-10-,21-12+.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide has a molecular weight of 338.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide is sourced from PubChem (CID 56642857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).