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

C10H16F3N3O2S — CID 54877118

IUPAC5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C10H16F3N3O2S/c1-7(2)5-16(6-10(11,12)13)19(17,18)9-4-14-15-8(9)3/h4,7H,5-6H2,1-3H3,(H,14,15)
InChIKeyJXACLYIECZNQAS-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.93
Rot. Bonds5

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

5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54877118) has the molecular formula C10H16F3N3O2S and a molecular weight of 299.32 g/mol. Its IUPAC name is 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID54877118
Molecular FormulaC10H16F3N3O2S
Molecular Weight299.32 g/mol
Exact Mass299.09
IUPAC Name5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C10H16F3N3O2S/c1-7(2)5-16(6-10(11,12)13)19(17,18)9-4-14-15-8(9)3/h4,7H,5-6H2,1-3H3,(H,14,15)
InChIKeyJXACLYIECZNQAS-UHFFFAOYSA-N
XLogP1.93
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 54877118) is 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(CC(C)C)CC(F)(F)F.
What is the InChIKey of 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is JXACLYIECZNQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2S/c1-7(2)5-16(6-10(11,12)13)19(17,18)9-4-14-15-8(9)3/h4,7H,5-6H2,1-3H3,(H,14,15).
What are the key properties of 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 299.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54877118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).