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

C9H14F3N3O2S — CID 60960291

IUPAC5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H14F3N3O2S/c1-6(2)15(5-9(10,11)12)18(16,17)8-4-13-14-7(8)3/h4,6H,5H2,1-3H3,(H,13,14)
InChIKeyVQPCFMZPKUBIME-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.68
Rot. Bonds4

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

5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60960291) has the molecular formula C9H14F3N3O2S and a molecular weight of 285.29 g/mol. Its IUPAC name is 5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60960291
Molecular FormulaC9H14F3N3O2S
Molecular Weight285.29 g/mol
Exact Mass285.08
IUPAC Name5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H14F3N3O2S/c1-6(2)15(5-9(10,11)12)18(16,17)8-4-13-14-7(8)3/h4,6H,5H2,1-3H3,(H,13,14)
InChIKeyVQPCFMZPKUBIME-UHFFFAOYSA-N
XLogP1.68
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 60960291) is 5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is VQPCFMZPKUBIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2S/c1-6(2)15(5-9(10,11)12)18(16,17)8-4-13-14-7(8)3/h4,6H,5H2,1-3H3,(H,13,14).
What are the key properties of 5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 285.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60960291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).