N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride

C11H20ClF3N4O2S — CID 120712223

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1cnn(CC(F)(F)F)c1.Cl
InChIInChI=1S/C11H19F3N4O2S.ClH/c1-10(2,6-15)7-17(3)21(19,20)9-4-16-18(5-9)8-11(12,13)14;/h4-5H,6-8,15H2,1-3H3;1H
InChIKeyQTLUJAGPLSDXHC-UHFFFAOYSA-N
MW364.82 g/mol
LogP1.47
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120712223) has the molecular formula C11H20ClF3N4O2S and a molecular weight of 364.82 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID120712223
Molecular FormulaC11H20ClF3N4O2S
Molecular Weight364.82 g/mol
Exact Mass364.09
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1cnn(CC(F)(F)F)c1.Cl
InChIInChI=1S/C11H19F3N4O2S.ClH/c1-10(2,6-15)7-17(3)21(19,20)9-4-16-18(5-9)8-11(12,13)14;/h4-5H,6-8,15H2,1-3H3;1H
InChIKeyQTLUJAGPLSDXHC-UHFFFAOYSA-N
XLogP1.47
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.82
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride (CID 120712223) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride is CN(CC(C)(C)CN)S(=O)(=O)c1cnn(CC(F)(F)F)c1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is QTLUJAGPLSDXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O2S.ClH/c1-10(2,6-15)7-17(3)21(19,20)9-4-16-18(5-9)8-11(12,13)14;/h4-5H,6-8,15H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 364.82 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120712223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).