(E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide

C15H14F3N3O — CID 71808009

IUPAC(E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)13-8-10-21(20-13)11-9-19-14(22)7-6-12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H,19,22)/b7-6+
InChIKeyXAXBZNUZJLYXBU-VOTSOKGWSA-N
MW309.29 g/mol
LogP2.73
Rot. Bonds5

About (E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide

(E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide (PubChem CID 71808009) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is (E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide
PubChem CID71808009
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name(E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)13-8-10-21(20-13)11-9-19-14(22)7-6-12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H,19,22)/b7-6+
InChIKeyXAXBZNUZJLYXBU-VOTSOKGWSA-N
XLogP2.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]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

3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide
CID 91939659
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588569
2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 90588530
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
CID 90588535
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide
CID 108573647
1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
CID 71808010
2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588583
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 6908230
3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 19576809
3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588556
3,4-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588560

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide (CID 71808009) is (E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide is O=C(/C=C/c1ccccc1)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of (E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide?
The InChIKey is XAXBZNUZJLYXBU-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H14F3N3O/c16-15(17,18)13-8-10-21(20-13)11-9-19-14(22)7-6-12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H,19,22)/b7-6+.
What are the key properties of (E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide?
(E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide has a molecular weight of 309.29 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 71808009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).