ethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate

C11H13F3N2O2 — CID 167468218

IUPACethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate
SMILESCCOC(=O)C1Cc2cnn(CC(F)(F)F)c2C1
InChIInChI=1S/C11H13F3N2O2/c1-2-18-10(17)7-3-8-5-15-16(9(8)4-7)6-11(12,13)14/h5,7H,2-4,6H2,1H3
InChIKeyJQZPWNVDCCNXRP-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.72
Rot. Bonds3

About ethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate

ethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate (PubChem CID 167468218) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is ethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate
PubChem CID167468218
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Nameethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate
SMILESCCOC(=O)C1Cc2cnn(CC(F)(F)F)c2C1
InChIInChI=1S/C11H13F3N2O2/c1-2-18-10(17)7-3-8-5-15-16(9(8)4-7)6-11(12,13)14/h5,7H,2-4,6H2,1H3
InChIKeyJQZPWNVDCCNXRP-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

ethyl (5S)-1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxylate
CID 129354303
ethyl 3-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylate
CID 156862452
ethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate
CID 131277883
1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
CID 59215135
ethyl 4-fluoro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylate
CID 156862824
lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride
CID 139342927
ethyl 3-[[5-bromo-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]propanoate
CID 114436684
ethyl 5-amino-6-iodo-2,3-dihydro-1H-indene-2-carboxylate
CID 156536085
ethyl 1-[5-iodo-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168975164
ethyl 4-oxocyclohexane-1-carboxylate;ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carboxylate;2-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-6-carboxylic acid
CID 159146033
ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 86330706
ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate
CID 115280563

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate?
The IUPAC name of ethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate (CID 167468218) is ethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate is CCOC(=O)C1Cc2cnn(CC(F)(F)F)c2C1.
What is the InChIKey of ethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate?
The InChIKey is JQZPWNVDCCNXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-2-18-10(17)7-3-8-5-15-16(9(8)4-7)6-11(12,13)14/h5,7H,2-4,6H2,1H3.
What are the key properties of ethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate?
ethyl 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]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 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylate is sourced from PubChem (CID 167468218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).