5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one

C23H29N3O2 — CID 145000363

IUPAC5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one
SMILESCC(C)[C@]1(N2Cc3cc(-c4n[nH]c5c4CC(C)(C)C5)ccc3C2=O)C[C@H]1CO
InChIInChI=1S/C23H29N3O2/c1-13(2)23(8-16(23)12-27)26-11-15-7-14(5-6-17(15)21(26)28)20-18-9-22(3,4)10-19(18)24-25-20/h5-7,13,16,27H,8-12H2,1-4H3,(H,24,25)/t16-,23+/m0/s1
InChIKeyOEZPGTKXYDFWDQ-QMHKHESXSA-N
MW379.50 g/mol
LogP3.56
Rot. Bonds4

About 5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one

5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one (PubChem CID 145000363) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one
PubChem CID145000363
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one
SMILESCC(C)[C@]1(N2Cc3cc(-c4n[nH]c5c4CC(C)(C)C5)ccc3C2=O)C[C@H]1CO
InChIInChI=1S/C23H29N3O2/c1-13(2)23(8-16(23)12-27)26-11-15-7-14(5-6-17(15)21(26)28)20-18-9-22(3,4)10-19(18)24-25-20/h5-7,13,16,27H,8-12H2,1-4H3,(H,24,25)/t16-,23+/m0/s1
InChIKeyOEZPGTKXYDFWDQ-QMHKHESXSA-N
XLogP3.56
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one?
The IUPAC name of 5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one (CID 145000363) is 5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one.
What is the SMILES notation for 5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one?
The canonical SMILES for 5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one is CC(C)[C@]1(N2Cc3cc(-c4n[nH]c5c4CC(C)(C)C5)ccc3C2=O)C[C@H]1CO.
What is the InChIKey of 5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one?
The InChIKey is OEZPGTKXYDFWDQ-QMHKHESXSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-13(2)23(8-16(23)12-27)26-11-15-7-14(5-6-17(15)21(26)28)20-18-9-22(3,4)10-19(18)24-25-20/h5-7,13,16,27H,8-12H2,1-4H3,(H,24,25)/t16-,23+/m0/s1.
What are the key properties of 5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one?
5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one has a molecular weight of 379.50 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one is sourced from PubChem (CID 145000363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).