1,5-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine

C11H17F3N4O2S — CID 105358655

IUPAC1,5-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
SMILESCc1c(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c(N)nn1C
InChIInChI=1S/C11H17F3N4O2S/c1-7-9(10(15)16-17(7)2)21(19,20)18-5-3-4-8(6-18)11(12,13)14/h8H,3-6H2,1-2H3,(H2,15,16)
InChIKeyGZBXTJVMKTYIGI-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.27
Rot. Bonds2

About 1,5-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine

1,5-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine (PubChem CID 105358655) has the molecular formula C11H17F3N4O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is 1,5-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
PubChem CID105358655
Molecular FormulaC11H17F3N4O2S
Molecular Weight326.34 g/mol
Exact Mass326.10
IUPAC Name1,5-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
SMILESCc1c(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c(N)nn1C
InChIInChI=1S/C11H17F3N4O2S/c1-7-9(10(15)16-17(7)2)21(19,20)18-5-3-4-8(6-18)11(12,13)14/h8H,3-6H2,1-2H3,(H2,15,16)
InChIKeyGZBXTJVMKTYIGI-UHFFFAOYSA-N
XLogP1.27
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,5-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine 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-Methyl-2-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrazol-3-amine
CID 148100267
1-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-3-methylpiperidine
CID 19614981
(3S)-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-3-methylpiperidine
CID 51853628
(3R)-1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-3-methylpiperidine
CID 51853629
3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358452
3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358505
3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358506
3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358515
3-amino-1,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358547
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358766
3-amino-N-cyclopropyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358767
3-amino-1,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 105358902

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine?
The IUPAC name of 1,5-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine (CID 105358655) is 1,5-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine.
What is the SMILES notation for 1,5-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine?
The canonical SMILES for 1,5-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine is Cc1c(S(=O)(=O)N2CCCC(C(F)(F)F)C2)c(N)nn1C.
What is the InChIKey of 1,5-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine?
The InChIKey is GZBXTJVMKTYIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2S/c1-7-9(10(15)16-17(7)2)21(19,20)18-5-3-4-8(6-18)11(12,13)14/h8H,3-6H2,1-2H3,(H2,15,16).
What are the key properties of 1,5-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine?
1,5-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine has a molecular weight of 326.34 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine is sourced from PubChem (CID 105358655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).