(E)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide

C23H19N3OS — CID 1312341

IUPAC(E)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)NCc1ccccc1
InChIInChI=1S/C23H19N3OS/c27-22(24-16-18-8-3-1-4-9-18)14-13-19-17-26(20-10-5-2-6-11-20)25-23(19)21-12-7-15-28-21/h1-15,17H,16H2,(H,24,27)/b14-13+
InChIKeyZPIJKQJRJCEDBU-BUHFOSPRSA-N
MW385.49 g/mol
LogP4.93
Rot. Bonds6

About (E)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide

(E)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide (PubChem CID 1312341) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is (E)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
PubChem CID1312341
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC Name(E)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)NCc1ccccc1
InChIInChI=1S/C23H19N3OS/c27-22(24-16-18-8-3-1-4-9-18)14-13-19-17-26(20-10-5-2-6-11-20)25-23(19)21-12-7-15-28-21/h1-15,17H,16H2,(H,24,27)/b14-13+
InChIKeyZPIJKQJRJCEDBU-BUHFOSPRSA-N
XLogP4.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide (CID 1312341) is (E)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide is O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)NCc1ccccc1.
What is the InChIKey of (E)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide?
The InChIKey is ZPIJKQJRJCEDBU-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H19N3OS/c27-22(24-16-18-8-3-1-4-9-18)14-13-19-17-26(20-10-5-2-6-11-20)25-23(19)21-12-7-15-28-21/h1-15,17H,16H2,(H,24,27)/b14-13+.
What are the key properties of (E)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide?
(E)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide has a molecular weight of 385.49 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 1312341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).