N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide

C19H19N3O3S — CID 174850179

IUPACN-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide
SMILESCCNC(=O)c1ccc(S(=O)(=O)c2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C19H19N3O3S/c1-2-20-19(23)16-6-10-18(11-7-16)26(24,25)17-8-4-15(5-9-17)14-22-13-3-12-21-22/h3-13H,2,14H2,1H3,(H,20,23)
InChIKeyZJMUOCRBOLRXOV-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.51
Rot. Bonds6

About N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide

N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide (PubChem CID 174850179) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide
PubChem CID174850179
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide
SMILESCCNC(=O)c1ccc(S(=O)(=O)c2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C19H19N3O3S/c1-2-20-19(23)16-6-10-18(11-7-16)26(24,25)17-8-4-15(5-9-17)14-22-13-3-12-21-22/h3-13H,2,14H2,1H3,(H,20,23)
InChIKeyZJMUOCRBOLRXOV-UHFFFAOYSA-N
XLogP2.51
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide 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-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496
N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 55814374
4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55970703
N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 111429261
N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 55534682
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251
N-[(3S)-3-hydroxy-4,4-dimethylpentyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 95741014
4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252819
3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]butanoic acid
CID 119220723
N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46688121

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide?
The IUPAC name of N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide (CID 174850179) is N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide.
What is the SMILES notation for N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide?
The canonical SMILES for N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide is CCNC(=O)c1ccc(S(=O)(=O)c2ccc(Cn3cccn3)cc2)cc1.
What is the InChIKey of N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide?
The InChIKey is ZJMUOCRBOLRXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-2-20-19(23)16-6-10-18(11-7-16)26(24,25)17-8-4-15(5-9-17)14-22-13-3-12-21-22/h3-13H,2,14H2,1H3,(H,20,23).
What are the key properties of N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide?
N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide has a molecular weight of 369.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide is sourced from PubChem (CID 174850179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).