N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide

C11H19N3O2S — CID 54932976

IUPACN-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCC1CCCC1
InChIInChI=1S/C11H19N3O2S/c1-9-11(8-12-14-9)17(15,16)13-7-6-10-4-2-3-5-10/h8,10,13H,2-7H2,1H3,(H,12,14)
InChIKeyOMACEYMYBIAHHA-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.58
Rot. Bonds5

About N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54932976) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54932976
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCC1CCCC1
InChIInChI=1S/C11H19N3O2S/c1-9-11(8-12-14-9)17(15,16)13-7-6-10-4-2-3-5-10/h8,10,13H,2-7H2,1H3,(H,12,14)
InChIKeyOMACEYMYBIAHHA-UHFFFAOYSA-N
XLogP1.58
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 54932976) is N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCCC1CCCC1.
What is the InChIKey of N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is OMACEYMYBIAHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9-11(8-12-14-9)17(15,16)13-7-6-10-4-2-3-5-10/h8,10,13H,2-7H2,1H3,(H,12,14).
What are the key properties of N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54932976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).