5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole

C10H17N3O4S2 — CID 110106115

IUPAC5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole
SMILESCCS(=O)(=O)N1CCC(c2[nH]ncc2S(C)(=O)=O)C1
InChIInChI=1S/C10H17N3O4S2/c1-3-19(16,17)13-5-4-8(7-13)10-9(6-11-12-10)18(2,14)15/h6,8H,3-5,7H2,1-2H3,(H,11,12)
InChIKeyZKRLBFFGTNIRGA-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.05
Rot. Bonds4

About 5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole

5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole (PubChem CID 110106115) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole.

Molecular Properties

Compound Name5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole
PubChem CID110106115
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole
SMILESCCS(=O)(=O)N1CCC(c2[nH]ncc2S(C)(=O)=O)C1
InChIInChI=1S/C10H17N3O4S2/c1-3-19(16,17)13-5-4-8(7-13)10-9(6-11-12-10)18(2,14)15/h6,8H,3-5,7H2,1-2H3,(H,11,12)
InChIKeyZKRLBFFGTNIRGA-UHFFFAOYSA-N
XLogP-0.05
TPSA100.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole 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

5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 125025175
5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 124641326
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
(3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
CID 124956608
1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine
CID 124950620
5-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125014855
4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole
CID 124991874
2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124972172
1-[4-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 124947578
1,4-dimethyl-5-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 124981858
2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 110269018

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole?
The IUPAC name of 5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole (CID 110106115) is 5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole.
What is the SMILES notation for 5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole?
The canonical SMILES for 5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole is CCS(=O)(=O)N1CCC(c2[nH]ncc2S(C)(=O)=O)C1.
What is the InChIKey of 5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole?
The InChIKey is ZKRLBFFGTNIRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c1-3-19(16,17)13-5-4-8(7-13)10-9(6-11-12-10)18(2,14)15/h6,8H,3-5,7H2,1-2H3,(H,11,12).
What are the key properties of 5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole?
5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole has a molecular weight of 307.40 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole is sourced from PubChem (CID 110106115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).