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

C10H16F3N3O2S — CID 60959934

IUPAC3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C10H16F3N3O2S/c1-4-5-16(6-10(11,12)13)19(17,18)9-7(2)14-15-8(9)3/h4-6H2,1-3H3,(H,14,15)
InChIKeyQARQXORZKPWYCY-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.99
Rot. Bonds5

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

3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60959934) has the molecular formula C10H16F3N3O2S and a molecular weight of 299.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60959934
Molecular FormulaC10H16F3N3O2S
Molecular Weight299.32 g/mol
Exact Mass299.09
IUPAC Name3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C10H16F3N3O2S/c1-4-5-16(6-10(11,12)13)19(17,18)9-7(2)14-15-8(9)3/h4-6H2,1-3H3,(H,14,15)
InChIKeyQARQXORZKPWYCY-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 60959934) is 3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of 3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is QARQXORZKPWYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2S/c1-4-5-16(6-10(11,12)13)19(17,18)9-7(2)14-15-8(9)3/h4-6H2,1-3H3,(H,14,15).
What are the key properties of 3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 299.32 g/mol, XLogP of 1.99, 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-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60959934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).