N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide

C9H13N3O2S — CID 115695681

IUPACN-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CC=CC1
InChIInChI=1S/C9H13N3O2S/c1-7-9(6-10-11-7)15(13,14)12-8-4-2-3-5-8/h2-3,6,8,12H,4-5H2,1H3,(H,10,11)
InChIKeyYSADFKNXQNFULR-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.72
Rot. Bonds3

About N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide

N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 115695681) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID115695681
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CC=CC1
InChIInChI=1S/C9H13N3O2S/c1-7-9(6-10-11-7)15(13,14)12-8-4-2-3-5-8/h2-3,6,8,12H,4-5H2,1H3,(H,10,11)
InChIKeyYSADFKNXQNFULR-UHFFFAOYSA-N
XLogP0.72
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930247
5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide
CID 60910848
5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 61248171
5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
CID 63361565
N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115563568
N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114297377
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 61275605
N-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275807
N-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61248754
N-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide
CID 61275918
N-[2-(bromomethyl)cyclohexyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106367741
N'-hydroxy-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]ethanimidamide
CID 77002496

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide (CID 115695681) is N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC1CC=CC1.
What is the InChIKey of N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is YSADFKNXQNFULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-7-9(6-10-11-7)15(13,14)12-8-4-2-3-5-8/h2-3,6,8,12H,4-5H2,1H3,(H,10,11).
What are the key properties of N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide?
N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 227.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115695681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).