2-(1-methylpyrazol-4-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C16H20F3N5O — CID 128979453

IUPAC2-(1-methylpyrazol-4-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCn1cc(CC(=O)N2CCCC(c3nc(C(F)(F)F)cn3C)C2)cn1
InChIInChI=1S/C16H20F3N5O/c1-22-10-13(16(17,18)19)21-15(22)12-4-3-5-24(9-12)14(25)6-11-7-20-23(2)8-11/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyVSEGYVHYGNMGDA-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.12
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-(1-methylpyrazol-4-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 128979453) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID128979453
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name2-(1-methylpyrazol-4-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCn1cc(CC(=O)N2CCCC(c3nc(C(F)(F)F)cn3C)C2)cn1
InChIInChI=1S/C16H20F3N5O/c1-22-10-13(16(17,18)19)21-15(22)12-4-3-5-24(9-12)14(25)6-11-7-20-23(2)8-11/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyVSEGYVHYGNMGDA-UHFFFAOYSA-N
XLogP2.12
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 128979453) is 2-(1-methylpyrazol-4-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone is Cn1cc(CC(=O)N2CCCC(c3nc(C(F)(F)F)cn3C)C2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is VSEGYVHYGNMGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-22-10-13(16(17,18)19)21-15(22)12-4-3-5-24(9-12)14(25)6-11-7-20-23(2)8-11/h7-8,10,12H,3-6,9H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
2-(1-methylpyrazol-4-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 355.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 128979453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).