1,5-diphenyl-N-prop-2-enylpyrazole-4-carboxamide

C19H17N3O — CID 3741646

IUPAC1,5-diphenyl-N-prop-2-enylpyrazole-4-carboxamide
SMILESC=CCNC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H17N3O/c1-2-13-20-19(23)17-14-21-22(16-11-7-4-8-12-16)18(17)15-9-5-3-6-10-15/h2-12,14H,1,13H2,(H,20,23)
InChIKeyHADFDVUXFFWWMI-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.46
Rot. Bonds5

About 1,5-diphenyl-N-prop-2-enylpyrazole-4-carboxamide

1,5-diphenyl-N-prop-2-enylpyrazole-4-carboxamide (PubChem CID 3741646) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 1,5-diphenyl-N-prop-2-enylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-diphenyl-N-prop-2-enylpyrazole-4-carboxamide
PubChem CID3741646
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name1,5-diphenyl-N-prop-2-enylpyrazole-4-carboxamide
SMILESC=CCNC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H17N3O/c1-2-13-20-19(23)17-14-21-22(16-11-7-4-8-12-16)18(17)15-9-5-3-6-10-15/h2-12,14H,1,13H2,(H,20,23)
InChIKeyHADFDVUXFFWWMI-UHFFFAOYSA-N
XLogP3.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,5-diphenyl-N-prop-2-enylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-N-prop-2-enylpyrazole-4-carboxamide?
The IUPAC name of 1,5-diphenyl-N-prop-2-enylpyrazole-4-carboxamide (CID 3741646) is 1,5-diphenyl-N-prop-2-enylpyrazole-4-carboxamide.
What is the SMILES notation for 1,5-diphenyl-N-prop-2-enylpyrazole-4-carboxamide?
The canonical SMILES for 1,5-diphenyl-N-prop-2-enylpyrazole-4-carboxamide is C=CCNC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1,5-diphenyl-N-prop-2-enylpyrazole-4-carboxamide?
The InChIKey is HADFDVUXFFWWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-2-13-20-19(23)17-14-21-22(16-11-7-4-8-12-16)18(17)15-9-5-3-6-10-15/h2-12,14H,1,13H2,(H,20,23).
What are the key properties of 1,5-diphenyl-N-prop-2-enylpyrazole-4-carboxamide?
1,5-diphenyl-N-prop-2-enylpyrazole-4-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-N-prop-2-enylpyrazole-4-carboxamide is sourced from PubChem (CID 3741646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).