2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

C13H19N3O3S — CID 124972172

IUPAC2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)CC2CC2)C1
InChIInChI=1S/C13H19N3O3S/c1-20(18,19)11-7-14-15-13(11)10-4-5-16(8-10)12(17)6-9-2-3-9/h7,9-10H,2-6,8H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyKBEVXTTVLDZWIM-SNVBAGLBSA-N
MW297.38 g/mol
LogP0.93
Rot. Bonds4

About 2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 124972172) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID124972172
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)CC2CC2)C1
InChIInChI=1S/C13H19N3O3S/c1-20(18,19)11-7-14-15-13(11)10-4-5-16(8-10)12(17)6-9-2-3-9/h7,9-10H,2-6,8H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyKBEVXTTVLDZWIM-SNVBAGLBSA-N
XLogP0.93
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 127247209
1-[4-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 124947578
(6-methyl-2-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124972501
5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 124641326
[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 125001889
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 125001888
5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 125025175
5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole
CID 110106115
(6-methyl-3-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124996228
(2,4-dimethylpyrimidin-5-yl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125000279
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124960336
1-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95829700

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone (CID 124972172) is 2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone is CS(=O)(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)CC2CC2)C1.
What is the InChIKey of 2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is KBEVXTTVLDZWIM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-20(18,19)11-7-14-15-13(11)10-4-5-16(8-10)12(17)6-9-2-3-9/h7,9-10H,2-6,8H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of 2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 297.38 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124972172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).