1-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone

C18H24F3N3O3 — CID 154845312

IUPAC1-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
SMILESCC1(C2CCCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCC4)C2)OCCO1
InChIInChI=1S/C18H24F3N3O3/c1-17(26-8-9-27-17)12-4-3-7-23(10-12)15(25)11-24-14-6-2-5-13(14)16(22-24)18(19,20)21/h12H,2-11H2,1H3
InChIKeyOPPZDEKAAJNTBS-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.39
Rot. Bonds3

About 1-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone

1-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone (PubChem CID 154845312) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 1-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
PubChem CID154845312
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC Name1-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
SMILESCC1(C2CCCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCC4)C2)OCCO1
InChIInChI=1S/C18H24F3N3O3/c1-17(26-8-9-27-17)12-4-3-7-23(10-12)15(25)11-24-14-6-2-5-13(14)16(22-24)18(19,20)21/h12H,2-11H2,1H3
InChIKeyOPPZDEKAAJNTBS-UHFFFAOYSA-N
XLogP2.39
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone with MolForge

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Related Compounds

1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 1223613
N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide
CID 110086565
(2R)-N,1-dimethyl-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]piperazine-2-carboxamide
CID 124978262
1-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
CID 92731691
1-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
CID 22586678
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 788042
N-cycloheptyl-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19527311
methyl 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetate
CID 788041
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
CID 1129699
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19523810
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 51390263
1-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
CID 163340199

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
The IUPAC name of 1-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone (CID 154845312) is 1-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone is CC1(C2CCCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCC4)C2)OCCO1.
What is the InChIKey of 1-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
The InChIKey is OPPZDEKAAJNTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c1-17(26-8-9-27-17)12-4-3-7-23(10-12)15(25)11-24-14-6-2-5-13(14)16(22-24)18(19,20)21/h12H,2-11H2,1H3.
What are the key properties of 1-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
1-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone has a molecular weight of 387.40 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone is sourced from PubChem (CID 154845312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).