3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

C9H13F3N4O2S — CID 55006605

IUPAC3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(CC(F)(F)F)C2CC2)c(N)n1
InChIInChI=1S/C9H13F3N4O2S/c1-15-4-7(8(13)14-15)19(17,18)16(6-2-3-6)5-9(10,11)12/h4,6H,2-3,5H2,1H3,(H2,13,14)
InChIKeyLRDRRYJCXBJGFR-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.72
Rot. Bonds4

About 3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 55006605) has the molecular formula C9H13F3N4O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID55006605
Molecular FormulaC9H13F3N4O2S
Molecular Weight298.29 g/mol
Exact Mass298.07
IUPAC Name3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(CC(F)(F)F)C2CC2)c(N)n1
InChIInChI=1S/C9H13F3N4O2S/c1-15-4-7(8(13)14-15)19(17,18)16(6-2-3-6)5-9(10,11)12/h4,6H,2-3,5H2,1H3,(H2,13,14)
InChIKeyLRDRRYJCXBJGFR-UHFFFAOYSA-N
XLogP0.72
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 55006605) is 3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N(CC(F)(F)F)C2CC2)c(N)n1.
What is the InChIKey of 3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is LRDRRYJCXBJGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2S/c1-15-4-7(8(13)14-15)19(17,18)16(6-2-3-6)5-9(10,11)12/h4,6H,2-3,5H2,1H3,(H2,13,14).
What are the key properties of 3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 298.29 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 55006605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).