1-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

C16H20F3N5O — CID 110104256

IUPAC1-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cn(C)c(C2CCCN(C(=O)Cn3ccc(C(F)(F)F)n3)C2)n1
InChIInChI=1S/C16H20F3N5O/c1-11-8-22(2)15(20-11)12-4-3-6-23(9-12)14(25)10-24-7-5-13(21-24)16(17,18)19/h5,7-8,12H,3-4,6,9-10H2,1-2H3
InChIKeyUEMPNGINVBUBSL-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.35
Rot. Bonds3

About 1-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 110104256) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 1-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID110104256
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name1-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cn(C)c(C2CCCN(C(=O)Cn3ccc(C(F)(F)F)n3)C2)n1
InChIInChI=1S/C16H20F3N5O/c1-11-8-22(2)15(20-11)12-4-3-6-23(9-12)14(25)10-24-7-5-13(21-24)16(17,18)19/h5,7-8,12H,3-4,6,9-10H2,1-2H3
InChIKeyUEMPNGINVBUBSL-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 91911715
US9932325, Example 22
CID 132244615
N-[3-[[2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 145900909
2-(3,5-Dimethylpyrazol-1-yl)-1-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53605638
1-[5-(1-{[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}piperidin-4-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 72844537
3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]piperidine
CID 72867903
2-(2-isopropyl-1H-imidazol-1-yl)-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}propanamide
CID 72899172
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-2-(1H-pyrazol-1-yl)propanamide
CID 91631450
2-(1H-pyrazol-1-yl)-1-(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)ethanone
CID 91631511
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 92553785
8-[(1-Methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97396972
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 110226389

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 110104256) is 1-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is Cc1cn(C)c(C2CCCN(C(=O)Cn3ccc(C(F)(F)F)n3)C2)n1.
What is the InChIKey of 1-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is UEMPNGINVBUBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-11-8-22(2)15(20-11)12-4-3-6-23(9-12)14(25)10-24-7-5-13(21-24)16(17,18)19/h5,7-8,12H,3-4,6,9-10H2,1-2H3.
What are the key properties of 1-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 355.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 110104256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).