[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

C20H22F3N3O2 — CID 24818868

IUPAC[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCCc1[nH]nc(C(=O)N2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)c1C
InChIInChI=1S/C20H22F3N3O2/c1-3-16-12(2)17(25-24-16)19(28)26-9-5-7-14(11-26)18(27)13-6-4-8-15(10-13)20(21,22)23/h4,6,8,10,14H,3,5,7,9,11H2,1-2H3,(H,24,25)
InChIKeyOAEPZBNZXLOULT-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.03
Rot. Bonds4

About [1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 24818868) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is [1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID24818868
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCCc1[nH]nc(C(=O)N2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)c1C
InChIInChI=1S/C20H22F3N3O2/c1-3-16-12(2)17(25-24-16)19(28)26-9-5-7-14(11-26)18(27)13-6-4-8-15(10-13)20(21,22)23/h4,6,8,10,14H,3,5,7,9,11H2,1-2H3,(H,24,25)
InChIKeyOAEPZBNZXLOULT-UHFFFAOYSA-N
XLogP4.03
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 24818868) is [1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is CCc1[nH]nc(C(=O)N2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)c1C.
What is the InChIKey of [1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is OAEPZBNZXLOULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-3-16-12(2)17(25-24-16)19(28)26-9-5-7-14(11-26)18(27)13-6-4-8-15(10-13)20(21,22)23/h4,6,8,10,14H,3,5,7,9,11H2,1-2H3,(H,24,25).
What are the key properties of [1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 393.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 24818868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).