(E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide

C15H17N3O — CID 17393178

IUPAC(E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide
SMILESCC(NC(=O)/C=C/c1cnn(C)c1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-12(14-6-4-3-5-7-14)17-15(19)9-8-13-10-16-18(2)11-13/h3-12H,1-2H3,(H,17,19)/b9-8+
InChIKeyWWSLAZZDDKYPLY-CMDGGOBGSA-N
MW255.32 g/mol
LogP2.31
Rot. Bonds4

About (E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide

(E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide (PubChem CID 17393178) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide
PubChem CID17393178
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide
SMILESCC(NC(=O)/C=C/c1cnn(C)c1)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-12(14-6-4-3-5-7-14)17-15(19)9-8-13-10-16-18(2)11-13/h3-12H,1-2H3,(H,17,19)/b9-8+
InChIKeyWWSLAZZDDKYPLY-CMDGGOBGSA-N
XLogP2.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)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

(E)-N-[1-(2-methylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 18192277
(E)-N-[(R)-cyclopropyl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 31514981
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-N-[1-(3-bromophenyl)ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55576764
(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 898567
(Z)-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]but-2-enediamide
CID 98573401
(2R)-4-methyl-2-[3-(1-methylpyrazol-4-yl)prop-2-enoylamino]pentanoic acid
CID 78975582
N-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 77064998
(E)-3-(1-methylpyrazol-4-yl)-N-pentan-3-ylprop-2-enamide
CID 24680958
N-[4-[1-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595169
N-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 74290300
(E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 9330259

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide (CID 17393178) is (E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide is CC(NC(=O)/C=C/c1cnn(C)c1)c1ccccc1.
What is the InChIKey of (E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide?
The InChIKey is WWSLAZZDDKYPLY-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12(14-6-4-3-5-7-14)17-15(19)9-8-13-10-16-18(2)11-13/h3-12H,1-2H3,(H,17,19)/b9-8+.
What are the key properties of (E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide?
(E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide has a molecular weight of 255.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide is sourced from PubChem (CID 17393178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).