N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide

C16H19N3O3S — CID 8890675

IUPACN-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccnn2C2CCCC2)c1
InChIInChI=1S/C16H19N3O3S/c1-23(21,22)14-8-4-5-12(11-14)16(20)18-15-9-10-17-19(15)13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyJWKZSKSOSKUSLD-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.65
Rot. Bonds4

About N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide

N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide (PubChem CID 8890675) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide
PubChem CID8890675
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccnn2C2CCCC2)c1
InChIInChI=1S/C16H19N3O3S/c1-23(21,22)14-8-4-5-12(11-14)16(20)18-15-9-10-17-19(15)13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,18,20)
InChIKeyJWKZSKSOSKUSLD-UHFFFAOYSA-N
XLogP2.65
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide (CID 8890675) is N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)Nc2ccnn2C2CCCC2)c1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide?
The InChIKey is JWKZSKSOSKUSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-23(21,22)14-8-4-5-12(11-14)16(20)18-15-9-10-17-19(15)13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,18,20).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide?
N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide has a molecular weight of 333.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 8890675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).