4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide

C28H32N4O2 — CID 144999590

IUPAC4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(C(C)N2Cc3cc(-c4n[nH]c5c4CC(C)(C)C5)ccc3C2=O)cc1
InChIInChI=1S/C28H32N4O2/c1-16(2)29-26(33)19-8-6-18(7-9-19)17(3)32-15-21-12-20(10-11-22(21)27(32)34)25-23-13-28(4,5)14-24(23)30-31-25/h6-12,16-17H,13-15H2,1-5H3,(H,29,33)(H,30,31)
InChIKeyQCHUTDVTSGVAQT-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.06
Rot. Bonds5

About 4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide

4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide (PubChem CID 144999590) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide
PubChem CID144999590
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(C(C)N2Cc3cc(-c4n[nH]c5c4CC(C)(C)C5)ccc3C2=O)cc1
InChIInChI=1S/C28H32N4O2/c1-16(2)29-26(33)19-8-6-18(7-9-19)17(3)32-15-21-12-20(10-11-22(21)27(32)34)25-23-13-28(4,5)14-24(23)30-31-25/h6-12,16-17H,13-15H2,1-5H3,(H,29,33)(H,30,31)
InChIKeyQCHUTDVTSGVAQT-UHFFFAOYSA-N
XLogP5.06
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide (CID 144999590) is 4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(C(C)N2Cc3cc(-c4n[nH]c5c4CC(C)(C)C5)ccc3C2=O)cc1.
What is the InChIKey of 4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide?
The InChIKey is QCHUTDVTSGVAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-16(2)29-26(33)19-8-6-18(7-9-19)17(3)32-15-21-12-20(10-11-22(21)27(32)34)25-23-13-28(4,5)14-24(23)30-31-25/h6-12,16-17H,13-15H2,1-5H3,(H,29,33)(H,30,31).
What are the key properties of 4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide?
4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide has a molecular weight of 456.59 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 144999590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).