2-(4-methoxyphenyl)pyrazolo[1,5-b]isoindol-5-one

C17H12N2O2 — CID 1397657

IUPAC2-(4-methoxyphenyl)pyrazolo[1,5-b]isoindol-5-one
SMILESCOc1ccc(-c2cc3n(n2)C(=O)c2ccccc2-3)cc1
InChIInChI=1S/C17H12N2O2/c1-21-12-8-6-11(7-9-12)15-10-16-13-4-2-3-5-14(13)17(20)19(16)18-15/h2-10H,1H3
InChIKeyAILYIENOYVTTRK-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.23
Rot. Bonds2

About 2-(4-methoxyphenyl)pyrazolo[1,5-b]isoindol-5-one

2-(4-methoxyphenyl)pyrazolo[1,5-b]isoindol-5-one (PubChem CID 1397657) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)pyrazolo[1,5-b]isoindol-5-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)pyrazolo[1,5-b]isoindol-5-one
PubChem CID1397657
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name2-(4-methoxyphenyl)pyrazolo[1,5-b]isoindol-5-one
SMILESCOc1ccc(-c2cc3n(n2)C(=O)c2ccccc2-3)cc1
InChIInChI=1S/C17H12N2O2/c1-21-12-8-6-11(7-9-12)15-10-16-13-4-2-3-5-14(13)17(20)19(16)18-15/h2-10H,1H3
InChIKeyAILYIENOYVTTRK-UHFFFAOYSA-N
XLogP3.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)pyrazolo[1,5-b]isoindol-5-one?
The IUPAC name of 2-(4-methoxyphenyl)pyrazolo[1,5-b]isoindol-5-one (CID 1397657) is 2-(4-methoxyphenyl)pyrazolo[1,5-b]isoindol-5-one.
What is the SMILES notation for 2-(4-methoxyphenyl)pyrazolo[1,5-b]isoindol-5-one?
The canonical SMILES for 2-(4-methoxyphenyl)pyrazolo[1,5-b]isoindol-5-one is COc1ccc(-c2cc3n(n2)C(=O)c2ccccc2-3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)pyrazolo[1,5-b]isoindol-5-one?
The InChIKey is AILYIENOYVTTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-21-12-8-6-11(7-9-12)15-10-16-13-4-2-3-5-14(13)17(20)19(16)18-15/h2-10H,1H3.
What are the key properties of 2-(4-methoxyphenyl)pyrazolo[1,5-b]isoindol-5-one?
2-(4-methoxyphenyl)pyrazolo[1,5-b]isoindol-5-one has a molecular weight of 276.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)pyrazolo[1,5-b]isoindol-5-one is sourced from PubChem (CID 1397657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).