2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C15H20F3N3O — CID 39854903

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C2CC2)CC1
InChIInChI=1S/C15H20F3N3O/c1-10-4-6-20(7-5-10)14(22)9-21-12(11-2-3-11)8-13(19-21)15(16,17)18/h8,10-11H,2-7,9H2,1H3
InChIKeyHLMZVTIPAQBJAT-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.04
Rot. Bonds3

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 39854903) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID39854903
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C2CC2)CC1
InChIInChI=1S/C15H20F3N3O/c1-10-4-6-20(7-5-10)14(22)9-21-12(11-2-3-11)8-13(19-21)15(16,17)18/h8,10-11H,2-7,9H2,1H3
InChIKeyHLMZVTIPAQBJAT-UHFFFAOYSA-N
XLogP3.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 39854903) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C2CC2)CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is HLMZVTIPAQBJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-10-4-6-20(7-5-10)14(22)9-21-12(11-2-3-11)8-13(19-21)15(16,17)18/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 315.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 39854903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).