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

C15H18F3N5O — CID 141162005

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(n2cccn2)CC1
InChIInChI=1S/C15H18F3N5O/c1-11-9-13(15(16,17)18)20-23(11)10-14(24)21-7-3-12(4-8-21)22-6-2-5-19-22/h2,5-6,9,12H,3-4,7-8,10H2,1H3
InChIKeyVNLKQGWKRZCGBW-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.27
Rot. Bonds3

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

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone (PubChem CID 141162005) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
PubChem CID141162005
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(n2cccn2)CC1
InChIInChI=1S/C15H18F3N5O/c1-11-9-13(15(16,17)18)20-23(11)10-14(24)21-7-3-12(4-8-21)22-6-2-5-19-22/h2,5-6,9,12H,3-4,7-8,10H2,1H3
InChIKeyVNLKQGWKRZCGBW-UHFFFAOYSA-N
XLogP2.27
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone (CID 141162005) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(n2cccn2)CC1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone?
The InChIKey is VNLKQGWKRZCGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-11-9-13(15(16,17)18)20-23(11)10-14(24)21-7-3-12(4-8-21)22-6-2-5-19-22/h2,5-6,9,12H,3-4,7-8,10H2,1H3.
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone has a molecular weight of 341.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 141162005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).