(2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide

C13H22N4O3S — CID 97150944

IUPAC(2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide
SMILESCC[C@@H](C(=O)NCCS(=O)(=O)N1CCCC1)n1cccn1
InChIInChI=1S/C13H22N4O3S/c1-2-12(17-10-5-6-15-17)13(18)14-7-11-21(19,20)16-8-3-4-9-16/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,14,18)/t12-/m0/s1
InChIKeyLOACSGAMBWMKBE-LBPRGKRZSA-N
MW314.41 g/mol
LogP0.38
Rot. Bonds7

About (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide

(2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide (PubChem CID 97150944) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide
PubChem CID97150944
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name(2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide
SMILESCC[C@@H](C(=O)NCCS(=O)(=O)N1CCCC1)n1cccn1
InChIInChI=1S/C13H22N4O3S/c1-2-12(17-10-5-6-15-17)13(18)14-7-11-21(19,20)16-8-3-4-9-16/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,14,18)/t12-/m0/s1
InChIKeyLOACSGAMBWMKBE-LBPRGKRZSA-N
XLogP0.38
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide 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-(azepan-1-ylsulfonyl)ethyl]propanamide
CID 110345992
(2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide
CID 97144566
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrazol-1-ylbutanamide
CID 118782127
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylbutanamide
CID 91843238
N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyrazol-1-ylbutanamide
CID 122558085
(2R)-2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 97156398
(2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97149299
(2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide
CID 97147572
N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 72862860
(2S)-N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97119973
2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
CID 110345330
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 135117050

Frequently Asked Questions

What is the IUPAC name of (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide?
The IUPAC name of (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide (CID 97150944) is (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide.
What is the SMILES notation for (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide?
The canonical SMILES for (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide is CC[C@@H](C(=O)NCCS(=O)(=O)N1CCCC1)n1cccn1.
What is the InChIKey of (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide?
The InChIKey is LOACSGAMBWMKBE-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-2-12(17-10-5-6-15-17)13(18)14-7-11-21(19,20)16-8-3-4-9-16/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,14,18)/t12-/m0/s1.
What are the key properties of (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide?
(2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide has a molecular weight of 314.41 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide is sourced from PubChem (CID 97150944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).