N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide

C20H20N4O — CID 171130626

IUPACN-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide
SMILESCc1cc(-c2cccnc2)nn1CCNC(=O)C=Cc1ccccc1
InChIInChI=1S/C20H20N4O/c1-16-14-19(18-8-5-11-21-15-18)23-24(16)13-12-22-20(25)10-9-17-6-3-2-4-7-17/h2-11,14-15H,12-13H2,1H3,(H,22,25)
InChIKeyOHEOZORYAHWEDX-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.08
Rot. Bonds6

About N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide

N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 171130626) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID171130626
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide
SMILESCc1cc(-c2cccnc2)nn1CCNC(=O)C=Cc1ccccc1
InChIInChI=1S/C20H20N4O/c1-16-14-19(18-8-5-11-21-15-18)23-24(16)13-12-22-20(25)10-9-17-6-3-2-4-7-17/h2-11,14-15H,12-13H2,1H3,(H,22,25)
InChIKeyOHEOZORYAHWEDX-UHFFFAOYSA-N
XLogP3.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-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

N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-3-pyridin-3-ylprop-2-enamide
CID 71960670
(E)-3-(4-methoxyphenyl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]prop-2-enamide
CID 121033283
(E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide
CID 121121239
3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide
CID 171130635
(Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 91818540
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(E)-N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 121116516
3-pyridin-3-yl-N-(3-sulfonylpropyl)prop-2-enamide
CID 173201309
(E)-N-[2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-phenylprop-2-enamide
CID 121078617
(E)-3-(2-fluorophenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide
CID 119102901
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]prop-2-enamide
CID 121116468

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide (CID 171130626) is N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide is Cc1cc(-c2cccnc2)nn1CCNC(=O)C=Cc1ccccc1.
What is the InChIKey of N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is OHEOZORYAHWEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-16-14-19(18-8-5-11-21-15-18)23-24(16)13-12-22-20(25)10-9-17-6-3-2-4-7-17/h2-11,14-15H,12-13H2,1H3,(H,22,25).
What are the key properties of N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide?
N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 332.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 171130626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).