3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C11H18F3N3O2S — CID 60959936

IUPAC3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C11H18F3N3O2S/c1-7(2)5-17(6-11(12,13)14)20(18,19)10-8(3)15-16-9(10)4/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyPZUQSPUHGBQYFT-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.24
Rot. Bonds5

About 3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60959936) has the molecular formula C11H18F3N3O2S and a molecular weight of 313.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60959936
Molecular FormulaC11H18F3N3O2S
Molecular Weight313.35 g/mol
Exact Mass313.11
IUPAC Name3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C11H18F3N3O2S/c1-7(2)5-17(6-11(12,13)14)20(18,19)10-8(3)15-16-9(10)4/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyPZUQSPUHGBQYFT-UHFFFAOYSA-N
XLogP2.24
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 60959936) is 3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(CC(C)C)CC(F)(F)F.
What is the InChIKey of 3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is PZUQSPUHGBQYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2S/c1-7(2)5-17(6-11(12,13)14)20(18,19)10-8(3)15-16-9(10)4/h7H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 313.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60959936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).