N-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C12H19N3O2S — CID 103914971

IUPACN-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCC1=CCCC1
InChIInChI=1S/C12H19N3O2S/c1-9-12(10(2)15-14-9)18(16,17)13-8-7-11-5-3-4-6-11/h5,13H,3-4,6-8H2,1-2H3,(H,14,15)
InChIKeyODDAQTIOPKKHHY-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.81
Rot. Bonds5

About N-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 103914971) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID103914971
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCC1=CCCC1
InChIInChI=1S/C12H19N3O2S/c1-9-12(10(2)15-14-9)18(16,17)13-8-7-11-5-3-4-6-11/h5,13H,3-4,6-8H2,1-2H3,(H,14,15)
InChIKeyODDAQTIOPKKHHY-UHFFFAOYSA-N
XLogP1.81
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.81
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-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106150784
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 106168071
3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110415649
N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110788295
N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43402443
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113065786
N-[2-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110705723
5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106168086
3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide
CID 110317368

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 103914971) is N-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCC1=CCCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is ODDAQTIOPKKHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-12(10(2)15-14-9)18(16,17)13-8-7-11-5-3-4-6-11/h5,13H,3-4,6-8H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 103914971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).