5-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-3,4-diamine

C6H10F3N5O2S — CID 114804873

IUPAC5-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-3,4-diamine
SMILESCc1[nH]nc(NS(=O)(=O)NCC(F)(F)F)c1N
InChIInChI=1S/C6H10F3N5O2S/c1-3-4(10)5(13-12-3)14-17(15,16)11-2-6(7,8)9/h11H,2,10H2,1H3,(H2,12,13,14)
InChIKeyNJBGXFVWRORTKN-UHFFFAOYSA-N
MW273.24 g/mol
LogP0.11
Rot. Bonds4

About 5-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-3,4-diamine

5-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-3,4-diamine (PubChem CID 114804873) has the molecular formula C6H10F3N5O2S and a molecular weight of 273.24 g/mol. Its IUPAC name is 5-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-3,4-diamine.

Molecular Properties

Compound Name5-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-3,4-diamine
PubChem CID114804873
Molecular FormulaC6H10F3N5O2S
Molecular Weight273.24 g/mol
Exact Mass273.05
IUPAC Name5-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-3,4-diamine
SMILESCc1[nH]nc(NS(=O)(=O)NCC(F)(F)F)c1N
InChIInChI=1S/C6H10F3N5O2S/c1-3-4(10)5(13-12-3)14-17(15,16)11-2-6(7,8)9/h11H,2,10H2,1H3,(H2,12,13,14)
InChIKeyNJBGXFVWRORTKN-UHFFFAOYSA-N
XLogP0.11
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-1H-pyrazole-3,4-diamine
CID 15413224
5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine
CID 174486130
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-1,1-difluoromethanesulfonamide
CID 80357658
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83068322
4,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-3-amine
CID 113637320
3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-4-amine
CID 114809980
5-methyl-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazol-3-amine
CID 114810120
5-(aminomethyl)-1H-pyrazole-3,4-diamine
CID 18183271
5-methyl-1H-pyrazole-3,4-diamine;sulfuric acid
CID 69462537
N-(4-amino-5-methyl-1H-pyrazol-3-yl)ethanesulfonamide
CID 80356852
N-(4-amino-5-methyl-1H-pyrazol-3-yl)pyrrolidine-1-sulfonamide
CID 80357116
4-amino-3-(diethylsulfamoylamino)-5-methyl-1H-pyrazole
CID 80357205

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-3,4-diamine?
The IUPAC name of 5-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-3,4-diamine (CID 114804873) is 5-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-3,4-diamine.
What is the SMILES notation for 5-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-3,4-diamine?
The canonical SMILES for 5-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-3,4-diamine is Cc1[nH]nc(NS(=O)(=O)NCC(F)(F)F)c1N.
What is the InChIKey of 5-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-3,4-diamine?
The InChIKey is NJBGXFVWRORTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N5O2S/c1-3-4(10)5(13-12-3)14-17(15,16)11-2-6(7,8)9/h11H,2,10H2,1H3,(H2,12,13,14).
What are the key properties of 5-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-3,4-diamine?
5-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-3,4-diamine has a molecular weight of 273.24 g/mol, XLogP of 0.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-3,4-diamine is sourced from PubChem (CID 114804873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).