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

C10H17N3O4S2 — CID 125025175

IUPAC5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
SMILESCCS(=O)(=O)N1CC[C@@H](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)/t8-/m1/s1
InChIKeyZKRLBFFGTNIRGA-MRVPVSSYSA-N
MW307.40 g/mol
LogP-0.05
Rot. Bonds4

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

5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole (PubChem CID 125025175) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole.

Molecular Properties

Compound Name5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
PubChem CID125025175
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
SMILESCCS(=O)(=O)N1CC[C@@H](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)/t8-/m1/s1
InChIKeyZKRLBFFGTNIRGA-MRVPVSSYSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole?
The IUPAC name of 5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole (CID 125025175) is 5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole.
What is the SMILES notation for 5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole?
The canonical SMILES for 5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole is CCS(=O)(=O)N1CC[C@@H](c2[nH]ncc2S(C)(=O)=O)C1.
What is the InChIKey of 5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole?
The InChIKey is ZKRLBFFGTNIRGA-MRVPVSSYSA-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)/t8-/m1/s1.
What are the key properties of 5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole?
5-[(3R)-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-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole is sourced from PubChem (CID 125025175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).