(E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)prop-2-enamide

C22H23N3O — CID 50847234

IUPAC(E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2ccc(-n3nc(C)cc3C)cc2)cc1
InChIInChI=1S/C22H23N3O/c1-16-4-6-19(7-5-16)10-13-22(26)23-15-20-8-11-21(12-9-20)25-18(3)14-17(2)24-25/h4-14H,15H2,1-3H3,(H,23,26)/b13-10+
InChIKeyMUEFKWQUKSZXAW-JLHYYAGUSA-N
MW345.45 g/mol
LogP4.13
Rot. Bonds5

About (E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)prop-2-enamide

(E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 50847234) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID50847234
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2ccc(-n3nc(C)cc3C)cc2)cc1
InChIInChI=1S/C22H23N3O/c1-16-4-6-19(7-5-16)10-13-22(26)23-15-20-8-11-21(12-9-20)25-18(3)14-17(2)24-25/h4-14H,15H2,1-3H3,(H,23,26)/b13-10+
InChIKeyMUEFKWQUKSZXAW-JLHYYAGUSA-N
XLogP4.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)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

Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 84557574
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
(E)-3-(3-amino-4-methylphenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 39380497
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 4103426
(E)-3-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 30384892
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 7916746
methyl 2-methoxy-5-[[3-(4-methylphenyl)prop-2-enoylamino]methyl]benzoate
CID 75618723
(E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 51305933
4-(3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 16640533
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 86950496

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)prop-2-enamide (CID 50847234) is (E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCc2ccc(-n3nc(C)cc3C)cc2)cc1.
What is the InChIKey of (E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is MUEFKWQUKSZXAW-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-4-6-19(7-5-16)10-13-22(26)23-15-20-8-11-21(12-9-20)25-18(3)14-17(2)24-25/h4-14H,15H2,1-3H3,(H,23,26)/b13-10+.
What are the key properties of (E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 345.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 50847234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).