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

C9H15F3N4O2S — CID 60892892

IUPAC3-amino-N-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)CC(F)(F)F)c(N)n1
InChIInChI=1S/C9H15F3N4O2S/c1-3-4-16-5-7(8(13)14-16)19(17,18)15(2)6-9(10,11)12/h5H,3-4,6H2,1-2H3,(H2,13,14)
InChIKeyHZMAHTONLABFEP-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.06
Rot. Bonds5

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

3-amino-N-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 60892892) has the molecular formula C9H15F3N4O2S and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-amino-N-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID60892892
Molecular FormulaC9H15F3N4O2S
Molecular Weight300.31 g/mol
Exact Mass300.09
IUPAC Name3-amino-N-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)CC(F)(F)F)c(N)n1
InChIInChI=1S/C9H15F3N4O2S/c1-3-4-16-5-7(8(13)14-16)19(17,18)15(2)6-9(10,11)12/h5H,3-4,6H2,1-2H3,(H2,13,14)
InChIKeyHZMAHTONLABFEP-UHFFFAOYSA-N
XLogP1.06
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 60892892) is 3-amino-N-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)CC(F)(F)F)c(N)n1.
What is the InChIKey of 3-amino-N-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is HZMAHTONLABFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O2S/c1-3-4-16-5-7(8(13)14-16)19(17,18)15(2)6-9(10,11)12/h5H,3-4,6H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-N-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
3-amino-N-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 300.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60892892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).