N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide

C13H13N3O — CID 110486658

IUPACN-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide
SMILESC=CCNC(=O)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C13H13N3O/c1-2-6-14-13(17)11-5-3-4-10(7-11)12-8-15-16-9-12/h2-5,7-9H,1,6H2,(H,14,17)(H,15,16)
InChIKeySXDRJLOQDFCIFX-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.99
Rot. Bonds4

About N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide

N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide (PubChem CID 110486658) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide
PubChem CID110486658
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide
SMILESC=CCNC(=O)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C13H13N3O/c1-2-6-14-13(17)11-5-3-4-10(7-11)12-8-15-16-9-12/h2-5,7-9H,1,6H2,(H,14,17)(H,15,16)
InChIKeySXDRJLOQDFCIFX-UHFFFAOYSA-N
XLogP1.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide 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

3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110486697
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
1-[3-(1H-pyrazol-4-yl)phenyl]ethanone
CID 121358272
3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 74249008
N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide
CID 74240489
2,2-dimethyl-1-[3-(1H-pyrazol-4-yl)phenyl]propan-1-one
CID 121354891
3-nitro-N-prop-2-enylbenzamide
CID 2832220
N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464248
3-ethoxy-N-prop-2-enylbenzamide
CID 4957446
6-phenyl-N-prop-2-enylpyridine-3-carboxamide
CID 110683620
3-cyano-N-prop-2-enylbenzamide
CID 24701030
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide (CID 110486658) is N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide is C=CCNC(=O)c1cccc(-c2cn[nH]c2)c1.
What is the InChIKey of N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide?
The InChIKey is SXDRJLOQDFCIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-6-14-13(17)11-5-3-4-10(7-11)12-8-15-16-9-12/h2-5,7-9H,1,6H2,(H,14,17)(H,15,16).
What are the key properties of N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide?
N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide has a molecular weight of 227.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 110486658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).