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

C17H26F3N3O — CID 134331557

IUPAC1-[4-[2-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCn2nc(C(F)(F)F)c(C)c2C(C)C)CC1
InChIInChI=1S/C17H26F3N3O/c1-11(2)15-12(3)16(17(18,19)20)21-23(15)10-7-14-5-8-22(9-6-14)13(4)24/h11,14H,5-10H2,1-4H3
InChIKeyLTWKXTNTKMEBCC-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.98
Rot. Bonds4

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

1-[4-[2-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone (PubChem CID 134331557) has the molecular formula C17H26F3N3O and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-[4-[2-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone
PubChem CID134331557
Molecular FormulaC17H26F3N3O
Molecular Weight345.41 g/mol
Exact Mass345.20
IUPAC Name1-[4-[2-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCn2nc(C(F)(F)F)c(C)c2C(C)C)CC1
InChIInChI=1S/C17H26F3N3O/c1-11(2)15-12(3)16(17(18,19)20)21-23(15)10-7-14-5-8-22(9-6-14)13(4)24/h11,14H,5-10H2,1-4H3
InChIKeyLTWKXTNTKMEBCC-UHFFFAOYSA-N
XLogP3.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone (CID 134331557) is 1-[4-[2-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CCn2nc(C(F)(F)F)c(C)c2C(C)C)CC1.
What is the InChIKey of 1-[4-[2-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone?
The InChIKey is LTWKXTNTKMEBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3O/c1-11(2)15-12(3)16(17(18,19)20)21-23(15)10-7-14-5-8-22(9-6-14)13(4)24/h11,14H,5-10H2,1-4H3.
What are the key properties of 1-[4-[2-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone?
1-[4-[2-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 345.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 134331557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).