ethyl 2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-5-carboxylate

C11H13F3N2O2 — CID 167468300

IUPACethyl 2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-5-carboxylate
SMILESCCOC(=O)C1Cc2cn(CC(F)(F)F)nc2C1
InChIInChI=1S/C11H13F3N2O2/c1-2-18-10(17)7-3-8-5-16(6-11(12,13)14)15-9(8)4-7/h5,7H,2-4,6H2,1H3
InChIKeyVNMSMNMUPOCIEI-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.72
Rot. Bonds3

About ethyl 2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-5-carboxylate

ethyl 2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-5-carboxylate (PubChem CID 167468300) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is ethyl 2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-5-carboxylate
PubChem CID167468300
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Nameethyl 2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-5-carboxylate
SMILESCCOC(=O)C1Cc2cn(CC(F)(F)F)nc2C1
InChIInChI=1S/C11H13F3N2O2/c1-2-18-10(17)7-3-8-5-16(6-11(12,13)14)15-9(8)4-7/h5,7H,2-4,6H2,1H3
InChIKeyVNMSMNMUPOCIEI-UHFFFAOYSA-N
XLogP1.72
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methanol
CID 167467523
[1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol
CID 167468078
ethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate
CID 167468218
Ethyl 3-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2-oxopropanoate
CID 168770978
[1-(1,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol
CID 175567657
[2-(1,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methanol
CID 175567876
ethyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate;ethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate
CID 175853878
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methyl 3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 53618852
3-(1,5-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutanoic acid
CID 79583676
3-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 82662066
3-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutanoic acid
CID 83094585
3-[1-Ethyl-5-(trifluoromethyl)pyrazol-4-yl]propanoic acid
CID 105497421

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-5-carboxylate?
The IUPAC name of ethyl 2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-5-carboxylate (CID 167468300) is ethyl 2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-5-carboxylate is CCOC(=O)C1Cc2cn(CC(F)(F)F)nc2C1.
What is the InChIKey of ethyl 2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-5-carboxylate?
The InChIKey is VNMSMNMUPOCIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-2-18-10(17)7-3-8-5-16(6-11(12,13)14)15-9(8)4-7/h5,7H,2-4,6H2,1H3.
What are the key properties of ethyl 2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-5-carboxylate?
ethyl 2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-5-carboxylate has a molecular weight of 262.23 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-5-carboxylate is sourced from PubChem (CID 167468300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).