(2-cyclopentylpyrazol-3-yl)-(3-ethylsulfonylazetidin-1-yl)methanone

C14H21N3O3S — CID 128646669

IUPAC(2-cyclopentylpyrazol-3-yl)-(3-ethylsulfonylazetidin-1-yl)methanone
SMILESCCS(=O)(=O)C1CN(C(=O)c2ccnn2C2CCCC2)C1
InChIInChI=1S/C14H21N3O3S/c1-2-21(19,20)12-9-16(10-12)14(18)13-7-8-15-17(13)11-5-3-4-6-11/h7-8,11-12H,2-6,9-10H2,1H3
InChIKeyKNGZMXLJVLDEHN-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.26
Rot. Bonds4

About (2-cyclopentylpyrazol-3-yl)-(3-ethylsulfonylazetidin-1-yl)methanone

(2-cyclopentylpyrazol-3-yl)-(3-ethylsulfonylazetidin-1-yl)methanone (PubChem CID 128646669) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is (2-cyclopentylpyrazol-3-yl)-(3-ethylsulfonylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-cyclopentylpyrazol-3-yl)-(3-ethylsulfonylazetidin-1-yl)methanone
PubChem CID128646669
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name(2-cyclopentylpyrazol-3-yl)-(3-ethylsulfonylazetidin-1-yl)methanone
SMILESCCS(=O)(=O)C1CN(C(=O)c2ccnn2C2CCCC2)C1
InChIInChI=1S/C14H21N3O3S/c1-2-21(19,20)12-9-16(10-12)14(18)13-7-8-15-17(13)11-5-3-4-6-11/h7-8,11-12H,2-6,9-10H2,1H3
InChIKeyKNGZMXLJVLDEHN-UHFFFAOYSA-N
XLogP1.26
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylpyrazol-3-yl)-(3-ethylsulfonylazetidin-1-yl)methanone?
The IUPAC name of (2-cyclopentylpyrazol-3-yl)-(3-ethylsulfonylazetidin-1-yl)methanone (CID 128646669) is (2-cyclopentylpyrazol-3-yl)-(3-ethylsulfonylazetidin-1-yl)methanone.
What is the SMILES notation for (2-cyclopentylpyrazol-3-yl)-(3-ethylsulfonylazetidin-1-yl)methanone?
The canonical SMILES for (2-cyclopentylpyrazol-3-yl)-(3-ethylsulfonylazetidin-1-yl)methanone is CCS(=O)(=O)C1CN(C(=O)c2ccnn2C2CCCC2)C1.
What is the InChIKey of (2-cyclopentylpyrazol-3-yl)-(3-ethylsulfonylazetidin-1-yl)methanone?
The InChIKey is KNGZMXLJVLDEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-21(19,20)12-9-16(10-12)14(18)13-7-8-15-17(13)11-5-3-4-6-11/h7-8,11-12H,2-6,9-10H2,1H3.
What are the key properties of (2-cyclopentylpyrazol-3-yl)-(3-ethylsulfonylazetidin-1-yl)methanone?
(2-cyclopentylpyrazol-3-yl)-(3-ethylsulfonylazetidin-1-yl)methanone has a molecular weight of 311.41 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylpyrazol-3-yl)-(3-ethylsulfonylazetidin-1-yl)methanone is sourced from PubChem (CID 128646669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).