3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide

C10H19N3O2S — CID 103854160

IUPAC3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C10H19N3O2S/c1-8(2)4-5-16(14,15)13-9(3)10-6-11-12-7-10/h6-9,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyMYYHYKIJWLJMGH-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.44
Rot. Bonds6

About 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide

3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide (PubChem CID 103854160) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide
PubChem CID103854160
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C10H19N3O2S/c1-8(2)4-5-16(14,15)13-9(3)10-6-11-12-7-10/h6-9,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyMYYHYKIJWLJMGH-UHFFFAOYSA-N
XLogP1.44
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide 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

2-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106215347
1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106216702
2-(2-aminophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106208337
2-(2-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanesulfonamide
CID 106208370
1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide
CID 106218352
1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106217693
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
1-(2-nitrophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 104624356
4-[1-[[butyl(methyl)sulfamoyl]amino]ethyl]-1H-pyrazole
CID 113339062
2,6-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]morpholine-4-sulfonamide
CID 103854198
5-amino-2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208351
5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 106218370

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide (CID 103854160) is 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide is CC(C)CCS(=O)(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide?
The InChIKey is MYYHYKIJWLJMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-8(2)4-5-16(14,15)13-9(3)10-6-11-12-7-10/h6-9,13H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide?
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 103854160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).