5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C6H9F3N4O2S — CID 60892505

IUPAC5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C6H9F3N4O2S/c1-13(3-6(7,8)9)16(14,15)4-2-11-12-5(4)10/h2H,3H2,1H3,(H3,10,11,12)
InChIKeyLKPGPBLNMICGML-UHFFFAOYSA-N
MW258.22 g/mol
LogP0.17
Rot. Bonds3

About 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60892505) has the molecular formula C6H9F3N4O2S and a molecular weight of 258.22 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60892505
Molecular FormulaC6H9F3N4O2S
Molecular Weight258.22 g/mol
Exact Mass258.04
IUPAC Name5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C6H9F3N4O2S/c1-13(3-6(7,8)9)16(14,15)4-2-11-12-5(4)10/h2H,3H2,1H3,(H3,10,11,12)
InChIKeyLKPGPBLNMICGML-UHFFFAOYSA-N
XLogP0.17
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methanesulfonyl-1H-pyrazol-5-amine hydrochloride
CID 13724139
4-(methylsulfonyl)-1H-pyrazol-3-amine
CID 13724138
N-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]methanimine
CID 141017916
N,N-dimethyl-N'-[4-(trifluoromethylsulfinyl)-1H-pyrazol-5-yl]methanimidamide
CID 142631946
propyl N-[4-(trifluoromethylsulfonyl)-1H-pyrazol-5-yl]methanimidate
CID 142648187
ethyl N-[4-(trifluoromethylsulfonyl)-1H-pyrazol-5-yl]methanimidate
CID 142648189
4-(trifluoromethylsulfonyl)-1H-pyrazol-5-amine
CID 145843012
4-(trifluoromethylsulfinyl)-1H-pyrazol-5-amine
CID 154512761
5-Aminopyrazol-4-sulfonamide
CID 60814684
5-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 55006557
5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 55006938
5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 55260678

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 60892505) is 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is LKPGPBLNMICGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4O2S/c1-13(3-6(7,8)9)16(14,15)4-2-11-12-5(4)10/h2H,3H2,1H3,(H3,10,11,12).
What are the key properties of 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 258.22 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60892505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).