2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone

C16H20F3N5O — CID 129479687

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)n1
InChIInChI=1S/C16H20F3N5O/c1-10-6-11(2)24(22-10)9-14(25)23-5-3-4-12(8-23)15-20-7-13(21-15)16(17,18)19/h6-7,12H,3-5,8-9H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeySVRBDYIZFHZBKL-GFCCVEGCSA-N
MW355.36 g/mol
LogP2.65
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 129479687) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID129479687
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)n1
InChIInChI=1S/C16H20F3N5O/c1-10-6-11(2)24(22-10)9-14(25)23-5-3-4-12(8-23)15-20-7-13(21-15)16(17,18)19/h6-7,12H,3-5,8-9H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeySVRBDYIZFHZBKL-GFCCVEGCSA-N
XLogP2.65
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534087
1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]but-2-yn-1-one
CID 125142252
2-methyl-3-oxo-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propanoic acid
CID 122066237
1-[(3S)-3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 92633517
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 70746246
(2-fluoro-4-methylphenyl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128995235
(4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479438
2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124984897
(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94486409
(4-methyl-1,2,5-oxadiazol-3-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 128963906
(5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479436
(3-ethyl-4-pyridinyl)-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129346899

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone (CID 129479687) is 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is SVRBDYIZFHZBKL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-10-6-11(2)24(22-10)9-14(25)23-5-3-4-12(8-23)15-20-7-13(21-15)16(17,18)19/h6-7,12H,3-5,8-9H2,1-2H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 355.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 129479687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).