5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole

C10H17N3O2S — CID 124641326

IUPAC5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
SMILESCCN1CC[C@H](c2[nH]ncc2S(C)(=O)=O)C1
InChIInChI=1S/C10H17N3O2S/c1-3-13-5-4-8(7-13)10-9(6-11-12-10)16(2,14)15/h6,8H,3-5,7H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyUTVYIDVSVLQSEK-QMMMGPOBSA-N
MW243.33 g/mol
LogP0.62
Rot. Bonds3

About 5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole

5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole (PubChem CID 124641326) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole.

Molecular Properties

Compound Name5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
PubChem CID124641326
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
SMILESCCN1CC[C@H](c2[nH]ncc2S(C)(=O)=O)C1
InChIInChI=1S/C10H17N3O2S/c1-3-13-5-4-8(7-13)10-9(6-11-12-10)16(2,14)15/h6,8H,3-5,7H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyUTVYIDVSVLQSEK-QMMMGPOBSA-N
XLogP0.62
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 125025175
5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole
CID 110106115
4-methylsulfonyl-5-[(3S)-1-pentan-3-ylpyrrolidin-3-yl]-1H-pyrazole
CID 125006037
5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 127244850
5-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125014855
1,4-dimethyl-5-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 124981858
4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole
CID 124991874
1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine
CID 124950620
2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124972172
5-[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 124942882
5-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 127244886
1-[4-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 124947578

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole?
The IUPAC name of 5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole (CID 124641326) is 5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole.
What is the SMILES notation for 5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole?
The canonical SMILES for 5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole is CCN1CC[C@H](c2[nH]ncc2S(C)(=O)=O)C1.
What is the InChIKey of 5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole?
The InChIKey is UTVYIDVSVLQSEK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-13-5-4-8(7-13)10-9(6-11-12-10)16(2,14)15/h6,8H,3-5,7H2,1-2H3,(H,11,12)/t8-/m0/s1.
What are the key properties of 5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole?
5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole has a molecular weight of 243.33 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole is sourced from PubChem (CID 124641326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).