ethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate

C14H22N2O3 — CID 118738573

IUPACethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate
SMILESCCOC(=O)C1CC2(CCCCC2)N2CCC(=O)N12
InChIInChI=1S/C14H22N2O3/c1-2-19-13(18)11-10-14(7-4-3-5-8-14)15-9-6-12(17)16(11)15/h11H,2-10H2,1H3
InChIKeyVLNVAFTUPZOENK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.47
Rot. Bonds2

About ethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate

ethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate (PubChem CID 118738573) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate
PubChem CID118738573
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate
SMILESCCOC(=O)C1CC2(CCCCC2)N2CCC(=O)N12
InChIInChI=1S/C14H22N2O3/c1-2-19-13(18)11-10-14(7-4-3-5-8-14)15-9-6-12(17)16(11)15/h11H,2-10H2,1H3
InChIKeyVLNVAFTUPZOENK-UHFFFAOYSA-N
XLogP1.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate with MolForge

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Related Compounds

ethyl (6R)-3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate
CID 146025945
ethyl spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,1'-cyclopentane]-1-carboxylate
CID 4913249
ethyl 1-hydroxy-4-oxoazetidine-2-carboxylate
CID 71328527
2-ethoxycarbonyl-6-oxopiperidine-1-carboxylic acid
CID 71186618
ethyl (1S,8R,9R)-11-methyl-12-oxotricyclo[6.2.2.01,6]dodec-6-ene-9-carboxylate
CID 24752382
ethyl 1-(1-aminocyclohexanecarbonyl)piperidine-2-carboxylate
CID 60952886
ethyl 2-(2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylate
CID 85299400
ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate
CID 115281474
ethyl 8-oxo-2,3,5,6,7,8a-hexahydro-1H-indolizine-3-carboxylate
CID 170594710
diethyl 3-oxopyrrolidine-1,2-dicarboxylate
CID 15618374
diethyl 2-(2-oxo-1-oxaspiro[4.5]decan-3-yl)propanedioate
CID 86037806
ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate
CID 85231054

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate?
The IUPAC name of ethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate (CID 118738573) is ethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate.
What is the SMILES notation for ethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate?
The canonical SMILES for ethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate is CCOC(=O)C1CC2(CCCCC2)N2CCC(=O)N12.
What is the InChIKey of ethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate?
The InChIKey is VLNVAFTUPZOENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-19-13(18)11-10-14(7-4-3-5-8-14)15-9-6-12(17)16(11)15/h11H,2-10H2,1H3.
What are the key properties of ethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate?
ethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxospiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclohexane]-5-carboxylate is sourced from PubChem (CID 118738573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).