2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione

C20H15N3O2 — CID 168519342

IUPAC2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(-c2n[nH]c3c2CCC3)cc1
InChIInChI=1S/C20H15N3O2/c24-19-14-4-1-2-5-15(14)20(25)23(19)13-10-8-12(9-11-13)18-16-6-3-7-17(16)21-22-18/h1-2,4-5,8-11H,3,6-7H2,(H,21,22)
InChIKeyWEGRWXXMSPXYHT-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.37
Rot. Bonds2

About 2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione

2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione (PubChem CID 168519342) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione
PubChem CID168519342
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(-c2n[nH]c3c2CCC3)cc1
InChIInChI=1S/C20H15N3O2/c24-19-14-4-1-2-5-15(14)20(25)23(19)13-10-8-12(9-11-13)18-16-6-3-7-17(16)21-22-18/h1-2,4-5,8-11H,3,6-7H2,(H,21,22)
InChIKeyWEGRWXXMSPXYHT-UHFFFAOYSA-N
XLogP3.37
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione
CID 108750167
3-(4-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 168515124
3-(4-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 169337120
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 117061879
[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]thiourea
CID 169359415
dimethyl 6-amino-5-cyano-4-phenyl-1-[4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)phenyl]-4H-pyridine-2,3-dicarboxylate
CID 168644900
3-(4-fluorophenyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973751
3-[3-oxo-6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723774
4-[4-(4-fluorophenyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 20570015
3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 123838523
3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyrazin-2-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 156661602

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione (CID 168519342) is 2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(-c2n[nH]c3c2CCC3)cc1.
What is the InChIKey of 2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione?
The InChIKey is WEGRWXXMSPXYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-19-14-4-1-2-5-15(14)20(25)23(19)13-10-8-12(9-11-13)18-16-6-3-7-17(16)21-22-18/h1-2,4-5,8-11H,3,6-7H2,(H,21,22).
What are the key properties of 2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione?
2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione has a molecular weight of 329.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168519342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).