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

C6H9F3N4O2S — CID 114810120

IUPAC5-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-3-amine
SMILESCc1cc(NS(=O)(=O)NCC(F)(F)F)n[nH]1
InChIInChI=1S/C6H9F3N4O2S/c1-4-2-5(12-11-4)13-16(14,15)10-3-6(7,8)9/h2,10H,3H2,1H3,(H2,11,12,13)
InChIKeyIGTAFVRPTJFAMP-UHFFFAOYSA-N
MW258.23 g/mol
LogP0.53
Rot. Bonds4

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

5-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-3-amine (PubChem CID 114810120) has the molecular formula C6H9F3N4O2S and a molecular weight of 258.23 g/mol. Its IUPAC name is 5-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-3-amine
PubChem CID114810120
Molecular FormulaC6H9F3N4O2S
Molecular Weight258.23 g/mol
Exact Mass258.04
IUPAC Name5-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-3-amine
SMILESCc1cc(NS(=O)(=O)NCC(F)(F)F)n[nH]1
InChIInChI=1S/C6H9F3N4O2S/c1-4-2-5(12-11-4)13-16(14,15)10-3-6(7,8)9/h2,10H,3H2,1H3,(H2,11,12,13)
InChIKeyIGTAFVRPTJFAMP-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 5-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-3-amine (CID 114810120) is 5-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-3-amine is Cc1cc(NS(=O)(=O)NCC(F)(F)F)n[nH]1.
What is the InChIKey of 5-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-3-amine?
The InChIKey is IGTAFVRPTJFAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4O2S/c1-4-2-5(12-11-4)13-16(14,15)10-3-6(7,8)9/h2,10H,3H2,1H3,(H2,11,12,13).
What are the key properties of 5-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-3-amine?
5-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-3-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 5-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 114810120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).