2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid

C22H18FN3O3 — CID 146095804

IUPAC2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(C(=O)c1nn(-c3ccccc3F)c3c1CCC3)C2
InChIInChI=1S/C22H18FN3O3/c23-17-5-1-2-6-19(17)26-18-7-3-4-16(18)20(24-26)21(27)25-11-14-9-8-13(22(28)29)10-15(14)12-25/h1-2,5-6,8-10H,3-4,7,11-12H2,(H,28,29)
InChIKeyFLYZVFYFDQLEHH-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.35
Rot. Bonds3

About 2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid

2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid (PubChem CID 146095804) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid
PubChem CID146095804
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC Name2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(C(=O)c1nn(-c3ccccc3F)c3c1CCC3)C2
InChIInChI=1S/C22H18FN3O3/c23-17-5-1-2-6-19(17)26-18-7-3-4-16(18)20(24-26)21(27)25-11-14-9-8-13(22(28)29)10-15(14)12-25/h1-2,5-6,8-10H,3-4,7,11-12H2,(H,28,29)
InChIKeyFLYZVFYFDQLEHH-UHFFFAOYSA-N
XLogP3.35
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid 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 2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid?
The IUPAC name of 2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid (CID 146095804) is 2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid?
The canonical SMILES for 2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CN(C(=O)c1nn(-c3ccccc3F)c3c1CCC3)C2.
What is the InChIKey of 2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid?
The InChIKey is FLYZVFYFDQLEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c23-17-5-1-2-6-19(17)26-18-7-3-4-16(18)20(24-26)21(27)25-11-14-9-8-13(22(28)29)10-15(14)12-25/h1-2,5-6,8-10H,3-4,7,11-12H2,(H,28,29).
What are the key properties of 2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid?
2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid has a molecular weight of 391.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,3-dihydroisoindole-5-carboxylic acid is sourced from PubChem (CID 146095804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).