2-methyl-1-methylsulfonyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine

C14H22F3N3O2S — CID 134331665

IUPAC2-methyl-1-methylsulfonyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCN(S(C)(=O)=O)C(C)C1
InChIInChI=1S/C14H22F3N3O2S/c1-9(2)12-8-13(14(15,16)17)18-20(12)11-5-6-19(10(3)7-11)23(4,21)22/h8-11H,5-7H2,1-4H3
InChIKeyIUVZYGOSLOFPAO-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.01
Rot. Bonds3

About 2-methyl-1-methylsulfonyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine

2-methyl-1-methylsulfonyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine (PubChem CID 134331665) has the molecular formula C14H22F3N3O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name2-methyl-1-methylsulfonyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine
PubChem CID134331665
Molecular FormulaC14H22F3N3O2S
Molecular Weight353.41 g/mol
Exact Mass353.14
IUPAC Name2-methyl-1-methylsulfonyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCN(S(C)(=O)=O)C(C)C1
InChIInChI=1S/C14H22F3N3O2S/c1-9(2)12-8-13(14(15,16)17)18-20(12)11-5-6-19(10(3)7-11)23(4,21)22/h8-11H,5-7H2,1-4H3
InChIKeyIUVZYGOSLOFPAO-UHFFFAOYSA-N
XLogP3.01
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-methylsulfonyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine 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

N-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)methanesulfonamide
CID 71807775
4-(3,5-Dimethylpyrazol-1-YL)-1-methanesulfonylpiperidine
CID 73439281
1-Propyl-2,3,5-trimethylpyrazolium bis(trifluoromethylsulfonyl)imide
CID 134716428
1-Butyl-2,3,5-trimethylpyrazolium bis(trifluoromethylsulfonyl)amide
CID 134716444
US20240398781, Example 78A
CID 168906991
US20240398781, Example 78C
CID 168907139
US20240398781, Example 78D
CID 168907151
US20240398781, Example 25A
CID 168907218
US20240398781, Example 78B
CID 168907282
US20240400579, Example 235B
CID 168907512
US20240400579, Example 235A
CID 168907701
1-[(1-Mesyl-4-piperidyl)methyl]-3,5-dimethylpyrazole
CID 71781244

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfonyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine?
The IUPAC name of 2-methyl-1-methylsulfonyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine (CID 134331665) is 2-methyl-1-methylsulfonyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine.
What is the SMILES notation for 2-methyl-1-methylsulfonyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine?
The canonical SMILES for 2-methyl-1-methylsulfonyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine is CC(C)c1cc(C(F)(F)F)nn1C1CCN(S(C)(=O)=O)C(C)C1.
What is the InChIKey of 2-methyl-1-methylsulfonyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine?
The InChIKey is IUVZYGOSLOFPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O2S/c1-9(2)12-8-13(14(15,16)17)18-20(12)11-5-6-19(10(3)7-11)23(4,21)22/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-methyl-1-methylsulfonyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine?
2-methyl-1-methylsulfonyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine has a molecular weight of 353.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfonyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine is sourced from PubChem (CID 134331665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).