(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide

C18H15N3O — CID 2360790

IUPAC(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
SMILESNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H15N3O/c19-17(22)12-11-15-13-21(16-9-5-2-6-10-16)20-18(15)14-7-3-1-4-8-14/h1-13H,(H2,19,22)/b12-11+
InChIKeySTSMPNVDWBKBJR-VAWYXSNFSA-N
MW289.34 g/mol
LogP3.04
Rot. Bonds4

About (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide

(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide (PubChem CID 2360790) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
PubChem CID2360790
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
SMILESNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H15N3O/c19-17(22)12-11-15-13-21(16-9-5-2-6-10-16)20-18(15)14-7-3-1-4-8-14/h1-13H,(H2,19,22)/b12-11+
InChIKeySTSMPNVDWBKBJR-VAWYXSNFSA-N
XLogP3.04
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(1,3-diphenylpyrazol-4-yl)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)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 2360671
(Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
CID 2282682
3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1-phenylprop-2-en-1-one
CID 5064210
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854158
3-(1,3-diphenylpyrazol-4-yl)prop-2-enal
CID 169460172
(E)-3-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
CID 156700548
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 19543200
(Z)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2688371
(E)-3-[1,3-bis(4-methylphenyl)pyrazol-4-yl]-1-phenylprop-2-en-1-one
CID 118734043
(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2688370
phenyl (Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 2423672
3-(1,3-diphenylpyrazol-4-yl)-N-(phenylcarbamothioyl)prop-2-enamide
CID 3645403

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide (CID 2360790) is (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide is NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is STSMPNVDWBKBJR-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H15N3O/c19-17(22)12-11-15-13-21(16-9-5-2-6-10-16)20-18(15)14-7-3-1-4-8-14/h1-13H,(H2,19,22)/b12-11+.
What are the key properties of (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide?
(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 289.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 2360790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).