N-(5-cyano-6-methyl-3-pyridinyl)-2-cyclopentylpyrazole-3-sulfonamide

C15H17N5O2S — CID 167770576

IUPACN-(5-cyano-6-methyl-3-pyridinyl)-2-cyclopentylpyrazole-3-sulfonamide
SMILESCc1ncc(NS(=O)(=O)c2ccnn2C2CCCC2)cc1C#N
InChIInChI=1S/C15H17N5O2S/c1-11-12(9-16)8-13(10-17-11)19-23(21,22)15-6-7-18-20(15)14-4-2-3-5-14/h6-8,10,14,19H,2-5H2,1H3
InChIKeyWCGKOWDLCPHEAW-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.37
Rot. Bonds4

About N-(5-cyano-6-methyl-3-pyridinyl)-2-cyclopentylpyrazole-3-sulfonamide

N-(5-cyano-6-methyl-3-pyridinyl)-2-cyclopentylpyrazole-3-sulfonamide (PubChem CID 167770576) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(5-cyano-6-methyl-3-pyridinyl)-2-cyclopentylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(5-cyano-6-methyl-3-pyridinyl)-2-cyclopentylpyrazole-3-sulfonamide
PubChem CID167770576
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN-(5-cyano-6-methyl-3-pyridinyl)-2-cyclopentylpyrazole-3-sulfonamide
SMILESCc1ncc(NS(=O)(=O)c2ccnn2C2CCCC2)cc1C#N
InChIInChI=1S/C15H17N5O2S/c1-11-12(9-16)8-13(10-17-11)19-23(21,22)15-6-7-18-20(15)14-4-2-3-5-14/h6-8,10,14,19H,2-5H2,1H3
InChIKeyWCGKOWDLCPHEAW-UHFFFAOYSA-N
XLogP2.37
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-6-methyl-3-pyridinyl)-2-cyclopentylpyrazole-3-sulfonamide?
The IUPAC name of N-(5-cyano-6-methyl-3-pyridinyl)-2-cyclopentylpyrazole-3-sulfonamide (CID 167770576) is N-(5-cyano-6-methyl-3-pyridinyl)-2-cyclopentylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(5-cyano-6-methyl-3-pyridinyl)-2-cyclopentylpyrazole-3-sulfonamide?
The canonical SMILES for N-(5-cyano-6-methyl-3-pyridinyl)-2-cyclopentylpyrazole-3-sulfonamide is Cc1ncc(NS(=O)(=O)c2ccnn2C2CCCC2)cc1C#N.
What is the InChIKey of N-(5-cyano-6-methyl-3-pyridinyl)-2-cyclopentylpyrazole-3-sulfonamide?
The InChIKey is WCGKOWDLCPHEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-11-12(9-16)8-13(10-17-11)19-23(21,22)15-6-7-18-20(15)14-4-2-3-5-14/h6-8,10,14,19H,2-5H2,1H3.
What are the key properties of N-(5-cyano-6-methyl-3-pyridinyl)-2-cyclopentylpyrazole-3-sulfonamide?
N-(5-cyano-6-methyl-3-pyridinyl)-2-cyclopentylpyrazole-3-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-6-methyl-3-pyridinyl)-2-cyclopentylpyrazole-3-sulfonamide is sourced from PubChem (CID 167770576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).