ethyl (6Z)-6-benzylidene-1-(4-fluorophenyl)-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate

C22H19FN2O2 — CID 10893800

IUPACethyl (6Z)-6-benzylidene-1-(4-fluorophenyl)-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2)c2c1CC/C2=C/c1ccccc1
InChIInChI=1S/C22H19FN2O2/c1-2-27-22(26)20-19-13-8-16(14-15-6-4-3-5-7-15)21(19)25(24-20)18-11-9-17(23)10-12-18/h3-7,9-12,14H,2,8,13H2,1H3/b16-14-
InChIKeyINAMGODWCQLECV-PEZBUJJGSA-N
MW362.40 g/mol
LogP4.67
Rot. Bonds4

About ethyl (6Z)-6-benzylidene-1-(4-fluorophenyl)-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate

ethyl (6Z)-6-benzylidene-1-(4-fluorophenyl)-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate (PubChem CID 10893800) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is ethyl (6Z)-6-benzylidene-1-(4-fluorophenyl)-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl (6Z)-6-benzylidene-1-(4-fluorophenyl)-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate
PubChem CID10893800
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Nameethyl (6Z)-6-benzylidene-1-(4-fluorophenyl)-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2)c2c1CC/C2=C/c1ccccc1
InChIInChI=1S/C22H19FN2O2/c1-2-27-22(26)20-19-13-8-16(14-15-6-4-3-5-7-15)21(19)25(24-20)18-11-9-17(23)10-12-18/h3-7,9-12,14H,2,8,13H2,1H3/b16-14-
InChIKeyINAMGODWCQLECV-PEZBUJJGSA-N
XLogP4.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (6Z)-6-benzylidene-1-(4-fluorophenyl)-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (6Z)-6-benzylidene-1-(4-fluorophenyl)-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate?
The IUPAC name of ethyl (6Z)-6-benzylidene-1-(4-fluorophenyl)-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate (CID 10893800) is ethyl (6Z)-6-benzylidene-1-(4-fluorophenyl)-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl (6Z)-6-benzylidene-1-(4-fluorophenyl)-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate?
The canonical SMILES for ethyl (6Z)-6-benzylidene-1-(4-fluorophenyl)-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccc(F)cc2)c2c1CC/C2=C/c1ccccc1.
What is the InChIKey of ethyl (6Z)-6-benzylidene-1-(4-fluorophenyl)-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate?
The InChIKey is INAMGODWCQLECV-PEZBUJJGSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-2-27-22(26)20-19-13-8-16(14-15-6-4-3-5-7-15)21(19)25(24-20)18-11-9-17(23)10-12-18/h3-7,9-12,14H,2,8,13H2,1H3/b16-14-.
What are the key properties of ethyl (6Z)-6-benzylidene-1-(4-fluorophenyl)-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate?
ethyl (6Z)-6-benzylidene-1-(4-fluorophenyl)-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate has a molecular weight of 362.40 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6Z)-6-benzylidene-1-(4-fluorophenyl)-4,5-dihydrocyclopenta[d]pyrazole-3-carboxylate is sourced from PubChem (CID 10893800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).