3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-4-amine

C7H11F3N4O2S — CID 114809980

IUPAC3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H11F3N4O2S/c1-4-6(5(2)13-12-4)14-17(15,16)11-3-7(8,9)10/h11,14H,3H2,1-2H3,(H,12,13)
InChIKeySGLIERSPCOTPPF-UHFFFAOYSA-N
MW272.25 g/mol
LogP0.84
Rot. Bonds4

About 3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-4-amine

3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-4-amine (PubChem CID 114809980) has the molecular formula C7H11F3N4O2S and a molecular weight of 272.25 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-4-amine
PubChem CID114809980
Molecular FormulaC7H11F3N4O2S
Molecular Weight272.25 g/mol
Exact Mass272.06
IUPAC Name3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H11F3N4O2S/c1-4-6(5(2)13-12-4)14-17(15,16)11-3-7(8,9)10/h11,14H,3H2,1-2H3,(H,12,13)
InChIKeySGLIERSPCOTPPF-UHFFFAOYSA-N
XLogP0.84
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-4-amine (CID 114809980) is 3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-4-amine?
The InChIKey is SGLIERSPCOTPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O2S/c1-4-6(5(2)13-12-4)14-17(15,16)11-3-7(8,9)10/h11,14H,3H2,1-2H3,(H,12,13).
What are the key properties of 3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-4-amine?
3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-4-amine has a molecular weight of 272.25 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 114809980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).