(E)-3-phenyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide

C20H19N3O — CID 11723357

IUPAC(E)-3-phenyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide
SMILESC[C@H](NC(=O)/C=C/c1ccccc1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C20H19N3O/c1-16(22-20(24)12-11-17-7-3-2-4-8-17)18-9-5-10-19(15-18)23-14-6-13-21-23/h2-16H,1H3,(H,22,24)/b12-11+/t16-/m0/s1
InChIKeySWFAVHKZUYCOJU-PCUGXKRQSA-N
MW317.39 g/mol
LogP3.76
Rot. Bonds5

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

(E)-3-phenyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide (PubChem CID 11723357) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is (E)-3-phenyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide
PubChem CID11723357
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name(E)-3-phenyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide
SMILESC[C@H](NC(=O)/C=C/c1ccccc1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C20H19N3O/c1-16(22-20(24)12-11-17-7-3-2-4-8-17)18-9-5-10-19(15-18)23-14-6-13-21-23/h2-16H,1H3,(H,22,24)/b12-11+/t16-/m0/s1
InChIKeySWFAVHKZUYCOJU-PCUGXKRQSA-N
XLogP3.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Rgfp966
CID 56650312
5-[1-(4-Cyanophenyl)-1H-pyrazol-5-yl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
CID 17755151
5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CID 3079322
3-amino-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 101874840
4-amino-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 101874841
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723779
N-(3,4-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850328
5-methyl-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850329
N-(2,4-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850351
5-methyl-N-(2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 850355

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide (CID 11723357) is (E)-3-phenyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide is C[C@H](NC(=O)/C=C/c1ccccc1)c1cccc(-n2cccn2)c1.
What is the InChIKey of (E)-3-phenyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide?
The InChIKey is SWFAVHKZUYCOJU-PCUGXKRQSA-N. The full InChI is InChI=1S/C20H19N3O/c1-16(22-20(24)12-11-17-7-3-2-4-8-17)18-9-5-10-19(15-18)23-14-6-13-21-23/h2-16H,1H3,(H,22,24)/b12-11+/t16-/m0/s1.
What are the key properties of (E)-3-phenyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide?
(E)-3-phenyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide has a molecular weight of 317.39 g/mol, XLogP of 3.76, 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-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 11723357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).