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

C6H9F3N4O2S — CID 114810284

IUPAC4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-5-amine
SMILESCc1cn[nH]c1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N4O2S/c1-4-2-10-12-5(4)13-16(14,15)11-3-6(7,8)9/h2,11H,3H2,1H3,(H2,10,12,13)
InChIKeyGXKHAMSEYVQCIK-UHFFFAOYSA-N
MW258.23 g/mol
LogP0.53
Rot. Bonds4

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

4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-5-amine (PubChem CID 114810284) has the molecular formula C6H9F3N4O2S and a molecular weight of 258.23 g/mol. Its IUPAC name is 4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-5-amine
PubChem CID114810284
Molecular FormulaC6H9F3N4O2S
Molecular Weight258.23 g/mol
Exact Mass258.04
IUPAC Name4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-5-amine
SMILESCc1cn[nH]c1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N4O2S/c1-4-2-10-12-5(4)13-16(14,15)11-3-6(7,8)9/h2,11H,3H2,1H3,(H2,10,12,13)
InChIKeyGXKHAMSEYVQCIK-UHFFFAOYSA-N
XLogP0.53
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-5-amine (CID 114810284) is 4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-5-amine is Cc1cn[nH]c1NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-5-amine?
The InChIKey is GXKHAMSEYVQCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4O2S/c1-4-2-10-12-5(4)13-16(14,15)11-3-6(7,8)9/h2,11H,3H2,1H3,(H2,10,12,13).
What are the key properties of 4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-5-amine?
4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-5-amine has a molecular weight of 258.23 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 114810284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).