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

C14H22F3N3O2S — CID 134331566

IUPAC4-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine
SMILESCc1c(C(F)(F)F)nn(C2CCN(S(C)(=O)=O)CC2)c1C(C)C
InChIInChI=1S/C14H22F3N3O2S/c1-9(2)12-10(3)13(14(15,16)17)18-20(12)11-5-7-19(8-6-11)23(4,21)22/h9,11H,5-8H2,1-4H3
InChIKeyYDYOHYWEAQTXKE-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.93
Rot. Bonds3

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

4-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine (PubChem CID 134331566) has the molecular formula C14H22F3N3O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 4-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine
PubChem CID134331566
Molecular FormulaC14H22F3N3O2S
Molecular Weight353.41 g/mol
Exact Mass353.14
IUPAC Name4-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine
SMILESCc1c(C(F)(F)F)nn(C2CCN(S(C)(=O)=O)CC2)c1C(C)C
InChIInChI=1S/C14H22F3N3O2S/c1-9(2)12-10(3)13(14(15,16)17)18-20(12)11-5-7-19(8-6-11)23(4,21)22/h9,11H,5-8H2,1-4H3
InChIKeyYDYOHYWEAQTXKE-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 71204299
3-(1,1-Difluoroethyl)-1-propan-2-yl-4,6-dihydrothieno[3,4-d]pyrazole 5,5-dioxide
CID 90162089
3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide
CID 90162133
5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 90162166
5-(Difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole
CID 90162226
4-Cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole
CID 90162241
1-Methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
CID 90167801
1-Cyclopentyl-5-ethyl-4-methyl-3-(trifluoromethyl)pyrazole
CID 118153107
1-Cyclopentyl-4,5-dimethyl-3-(2,2,2-trifluoroethyl)pyrazole
CID 122632520
4-[4,5-Dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine
CID 122633449
2-Methyl-1-methylsulfonyl-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 122633595
1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide
CID 129129637

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine?
The IUPAC name of 4-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine (CID 134331566) is 4-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine?
The canonical SMILES for 4-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine is Cc1c(C(F)(F)F)nn(C2CCN(S(C)(=O)=O)CC2)c1C(C)C.
What is the InChIKey of 4-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine?
The InChIKey is YDYOHYWEAQTXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O2S/c1-9(2)12-10(3)13(14(15,16)17)18-20(12)11-5-7-19(8-6-11)23(4,21)22/h9,11H,5-8H2,1-4H3.
What are the key properties of 4-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine?
4-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine has a molecular weight of 353.41 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 134331566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).