1-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-ethylsulfonylethanone

C13H20ClN3O3S — CID 97058642

IUPAC1-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-ethylsulfonylethanone
SMILESCCS(=O)(=O)CC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1Cl
InChIInChI=1S/C13H20ClN3O3S/c1-4-21(19,20)8-11(18)17-7-5-6-10(17)12-9(2)15-16(3)13(12)14/h10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyGBLCNIYAXVZLBP-SNVBAGLBSA-N
MW333.84 g/mol
LogP1.48
Rot. Bonds4

About 1-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-ethylsulfonylethanone

1-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-ethylsulfonylethanone (PubChem CID 97058642) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 1-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-ethylsulfonylethanone.

Molecular Properties

Compound Name1-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-ethylsulfonylethanone
PubChem CID97058642
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name1-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-ethylsulfonylethanone
SMILESCCS(=O)(=O)CC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1Cl
InChIInChI=1S/C13H20ClN3O3S/c1-4-21(19,20)8-11(18)17-7-5-6-10(17)12-9(2)15-16(3)13(12)14/h10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyGBLCNIYAXVZLBP-SNVBAGLBSA-N
XLogP1.48
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-ethylsulfonylethanone 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

[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(2R)-1-ethylpiperidin-2-yl]methanone
CID 129461445
[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone
CID 129461444
2-(cyclopropylmethylamino)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119881299
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978358
4-pyrazol-1-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one
CID 95978501
2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978464
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56779603
N-(2-acetamidoethyl)-2-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 96500485
2-(4-aminophenyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119881275
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95735674
(5-chloro-2-pyridinyl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 136526675
5,6,7,8-tetrahydronaphthalen-2-yl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 124547432

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-ethylsulfonylethanone?
The IUPAC name of 1-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-ethylsulfonylethanone (CID 97058642) is 1-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-ethylsulfonylethanone.
What is the SMILES notation for 1-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-ethylsulfonylethanone?
The canonical SMILES for 1-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-ethylsulfonylethanone is CCS(=O)(=O)CC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1Cl.
What is the InChIKey of 1-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-ethylsulfonylethanone?
The InChIKey is GBLCNIYAXVZLBP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-4-21(19,20)8-11(18)17-7-5-6-10(17)12-9(2)15-16(3)13(12)14/h10H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-ethylsulfonylethanone?
1-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-ethylsulfonylethanone has a molecular weight of 333.84 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-ethylsulfonylethanone is sourced from PubChem (CID 97058642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).