(5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone

C15H18F3N5O — CID 128980200

IUPAC(5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1[nH]ncc1C(=O)N1CCCC(c2nc(C(F)(F)F)cn2C)C1
InChIInChI=1S/C15H18F3N5O/c1-9-11(6-19-21-9)14(24)23-5-3-4-10(7-23)13-20-12(8-22(13)2)15(16,17)18/h6,8,10H,3-5,7H2,1-2H3,(H,19,21)
InChIKeyXKDGBCHXSBRSRF-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.49
Rot. Bonds2

About (5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone

(5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 128980200) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID128980200
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name(5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1[nH]ncc1C(=O)N1CCCC(c2nc(C(F)(F)F)cn2C)C1
InChIInChI=1S/C15H18F3N5O/c1-9-11(6-19-21-9)14(24)23-5-3-4-10(7-23)13-20-12(8-22(13)2)15(16,17)18/h6,8,10H,3-5,7H2,1-2H3,(H,19,21)
InChIKeyXKDGBCHXSBRSRF-UHFFFAOYSA-N
XLogP2.49
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128980244
(5-methylpyrazin-2-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128979420
(1-methylpyrazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 129346418
[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128980186
(5-hydroxy-3-pyridinyl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128980204
6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 129346944
[3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 110091836
3-[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
CID 124960618
2-methyl-N-[1-(5-methyl-1H-pyrazole-4-carbonyl)azepan-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 110248413
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 95819245
N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide
CID 154739693
2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 129351066

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 128980200) is (5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1[nH]ncc1C(=O)N1CCCC(c2nc(C(F)(F)F)cn2C)C1.
What is the InChIKey of (5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is XKDGBCHXSBRSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-9-11(6-19-21-9)14(24)23-5-3-4-10(7-23)13-20-12(8-22(13)2)15(16,17)18/h6,8,10H,3-5,7H2,1-2H3,(H,19,21).
What are the key properties of (5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 341.34 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 128980200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).