N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C10H16F3N3O2S — CID 54877071

IUPACN-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C10H16F3N3O2S/c1-3-4-5-16(7-10(11,12)13)19(17,18)9-6-14-15-8(9)2/h6H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyWOQHLKNXIUFEEE-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.07
Rot. Bonds6

About N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54877071) has the molecular formula C10H16F3N3O2S and a molecular weight of 299.32 g/mol. Its IUPAC name is N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID54877071
Molecular FormulaC10H16F3N3O2S
Molecular Weight299.32 g/mol
Exact Mass299.09
IUPAC NameN-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C10H16F3N3O2S/c1-3-4-5-16(7-10(11,12)13)19(17,18)9-6-14-15-8(9)2/h6H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyWOQHLKNXIUFEEE-UHFFFAOYSA-N
XLogP2.07
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 54877071) is N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is CCCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is WOQHLKNXIUFEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2S/c1-3-4-5-16(7-10(11,12)13)19(17,18)9-6-14-15-8(9)2/h6H,3-5,7H2,1-2H3,(H,14,15).
What are the key properties of N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 299.32 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54877071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).