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

C15H22F3N3O — CID 134331599

IUPAC1-[2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2nc(C(F)(F)F)cc2C(C)C)CC1C
InChIInChI=1S/C15H22F3N3O/c1-9(2)13-8-14(15(16,17)18)19-21(13)12-5-6-20(11(4)22)10(3)7-12/h8-10,12H,5-7H2,1-4H3
InChIKeyHNEAURGWSYHLKW-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.60
Rot. Bonds2

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

1-[2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 134331599) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID134331599
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC Name1-[2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2nc(C(F)(F)F)cc2C(C)C)CC1C
InChIInChI=1S/C15H22F3N3O/c1-9(2)13-8-14(15(16,17)18)19-21(13)12-5-6-20(11(4)22)10(3)7-12/h8-10,12H,5-7H2,1-4H3
InChIKeyHNEAURGWSYHLKW-UHFFFAOYSA-N
XLogP3.60
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 134331599) is 1-[2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2nc(C(F)(F)F)cc2C(C)C)CC1C.
What is the InChIKey of 1-[2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is HNEAURGWSYHLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-9(2)13-8-14(15(16,17)18)19-21(13)12-5-6-20(11(4)22)10(3)7-12/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 1-[2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 317.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 134331599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).