2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

C15H18F3N5O — CID 71926885

IUPAC2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCn1cc(CC(=O)N2CCCC(c3cc(C(F)(F)F)n[nH]3)C2)cn1
InChIInChI=1S/C15H18F3N5O/c1-22-8-10(7-19-22)5-14(24)23-4-2-3-11(9-23)12-6-13(21-20-12)15(16,17)18/h6-8,11H,2-5,9H2,1H3,(H,20,21)
InChIKeyKHALSWWNPREPRZ-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.11
Rot. Bonds3

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

2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 71926885) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID71926885
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESCn1cc(CC(=O)N2CCCC(c3cc(C(F)(F)F)n[nH]3)C2)cn1
InChIInChI=1S/C15H18F3N5O/c1-22-8-10(7-19-22)5-14(24)23-4-2-3-11(9-23)12-6-13(21-20-12)15(16,17)18/h6-8,11H,2-5,9H2,1H3,(H,20,21)
InChIKeyKHALSWWNPREPRZ-UHFFFAOYSA-N
XLogP2.11
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 71926885) is 2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is Cn1cc(CC(=O)N2CCCC(c3cc(C(F)(F)F)n[nH]3)C2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is KHALSWWNPREPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-22-8-10(7-19-22)5-14(24)23-4-2-3-11(9-23)12-6-13(21-20-12)15(16,17)18/h6-8,11H,2-5,9H2,1H3,(H,20,21).
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 341.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71926885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).