2-cyclopentylsulfonyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

C15H23N3O3S — CID 56801181

IUPAC2-cyclopentylsulfonyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCn1cc(C2CCCN2C(=O)CS(=O)(=O)C2CCCC2)cn1
InChIInChI=1S/C15H23N3O3S/c1-17-10-12(9-16-17)14-7-4-8-18(14)15(19)11-22(20,21)13-5-2-3-6-13/h9-10,13-14H,2-8,11H2,1H3
InChIKeyBUSQCARFVZQTAK-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.44
Rot. Bonds4

About 2-cyclopentylsulfonyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

2-cyclopentylsulfonyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 56801181) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID56801181
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-cyclopentylsulfonyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCn1cc(C2CCCN2C(=O)CS(=O)(=O)C2CCCC2)cn1
InChIInChI=1S/C15H23N3O3S/c1-17-10-12(9-16-17)14-7-4-8-18(14)15(19)11-22(20,21)13-5-2-3-6-13/h9-10,13-14H,2-8,11H2,1H3
InChIKeyBUSQCARFVZQTAK-UHFFFAOYSA-N
XLogP1.44
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentylsulfonyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (CID 56801181) is 2-cyclopentylsulfonyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentylsulfonyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentylsulfonyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is Cn1cc(C2CCCN2C(=O)CS(=O)(=O)C2CCCC2)cn1.
What is the InChIKey of 2-cyclopentylsulfonyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is BUSQCARFVZQTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-17-10-12(9-16-17)14-7-4-8-18(14)15(19)11-22(20,21)13-5-2-3-6-13/h9-10,13-14H,2-8,11H2,1H3.
What are the key properties of 2-cyclopentylsulfonyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
2-cyclopentylsulfonyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 325.43 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 56801181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).