[3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone

C18H24F3N5O — CID 72889190

IUPAC[3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
SMILESCCCCn1ccnc1C1CCCN(C(=O)c2cc(C(F)(F)F)nn2C)C1
InChIInChI=1S/C18H24F3N5O/c1-3-4-8-25-10-7-22-16(25)13-6-5-9-26(12-13)17(27)14-11-15(18(19,20)21)23-24(14)2/h7,10-11,13H,3-6,8-9,12H2,1-2H3
InChIKeyLYEXBKMCVQSWIK-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.46
Rot. Bonds5

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

[3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone (PubChem CID 72889190) has the molecular formula C18H24F3N5O and a molecular weight of 383.42 g/mol. Its IUPAC name is [3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
PubChem CID72889190
Molecular FormulaC18H24F3N5O
Molecular Weight383.42 g/mol
Exact Mass383.19
IUPAC Name[3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
SMILESCCCCn1ccnc1C1CCCN(C(=O)c2cc(C(F)(F)F)nn2C)C1
InChIInChI=1S/C18H24F3N5O/c1-3-4-8-25-10-7-22-16(25)13-6-5-9-26(12-13)17(27)14-11-15(18(19,20)21)23-24(14)2/h7,10-11,13H,3-6,8-9,12H2,1-2H3
InChIKeyLYEXBKMCVQSWIK-UHFFFAOYSA-N
XLogP3.46
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone with MolForge

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Related Compounds

[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 97275870
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 97187284
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97200492
5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97195512
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone
CID 72843426
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 72930897
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(2-chloro-4,5-difluorophenyl)ethanone
CID 97285756
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 72867437
1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[cyclopentyl(methyl)amino]ethanone
CID 72897186
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 97285988
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 97192324
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone
CID 72861491

Frequently Asked Questions

What is the IUPAC name of [3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone?
The IUPAC name of [3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone (CID 72889190) is [3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone.
What is the SMILES notation for [3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone?
The canonical SMILES for [3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone is CCCCn1ccnc1C1CCCN(C(=O)c2cc(C(F)(F)F)nn2C)C1.
What is the InChIKey of [3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone?
The InChIKey is LYEXBKMCVQSWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5O/c1-3-4-8-25-10-7-22-16(25)13-6-5-9-26(12-13)17(27)14-11-15(18(19,20)21)23-24(14)2/h7,10-11,13H,3-6,8-9,12H2,1-2H3.
What are the key properties of [3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone?
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone has a molecular weight of 383.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 72889190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).