3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide

C13H15N3O3S — CID 63820393

IUPAC3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCS(=O)(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C13H15N3O3S/c1-10-9-12(16-15-10)14-13(17)7-8-20(18,19)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17)
InChIKeyQPJNCGUXMRYGFQ-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.52
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide

3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide (PubChem CID 63820393) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
PubChem CID63820393
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCS(=O)(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C13H15N3O3S/c1-10-9-12(16-15-10)14-13(17)7-8-20(18,19)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17)
InChIKeyQPJNCGUXMRYGFQ-UHFFFAOYSA-N
XLogP1.52
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide (CID 63820393) is 3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide is Cc1cc(NC(=O)CCS(=O)(=O)c2ccccc2)n[nH]1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is QPJNCGUXMRYGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-10-9-12(16-15-10)14-13(17)7-8-20(18,19)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 293.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 63820393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).