N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanesulfonamide

C7H13N3O2S — CID 86804387

IUPACN-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCCc1[nH]nc(NS(C)(=O)=O)c1C
InChIInChI=1S/C7H13N3O2S/c1-4-6-5(2)7(9-8-6)10-13(3,11)12/h4H2,1-3H3,(H2,8,9,10)
InChIKeyKCXQETYWDFMUBM-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.65
Rot. Bonds3

About N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanesulfonamide

N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanesulfonamide (PubChem CID 86804387) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanesulfonamide
PubChem CID86804387
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanesulfonamide
SMILESCCc1[nH]nc(NS(C)(=O)=O)c1C
InChIInChI=1S/C7H13N3O2S/c1-4-6-5(2)7(9-8-6)10-13(3,11)12/h4H2,1-3H3,(H2,8,9,10)
InChIKeyKCXQETYWDFMUBM-UHFFFAOYSA-N
XLogP0.65
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanesulfonamide?
The IUPAC name of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanesulfonamide (CID 86804387) is N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanesulfonamide is CCc1[nH]nc(NS(C)(=O)=O)c1C.
What is the InChIKey of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanesulfonamide?
The InChIKey is KCXQETYWDFMUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-4-6-5(2)7(9-8-6)10-13(3,11)12/h4H2,1-3H3,(H2,8,9,10).
What are the key properties of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanesulfonamide?
N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanesulfonamide has a molecular weight of 203.27 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 86804387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).