5,5-dimethyl-2-phenylpyrazolo[5,1-a]isoindole

C18H16N2 — CID 15881031

IUPAC5,5-dimethyl-2-phenylpyrazolo[5,1-a]isoindole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3)nn21
InChIInChI=1S/C18H16N2/c1-18(2)15-11-7-6-10-14(15)17-12-16(19-20(17)18)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyKHWDHFOAGIUREZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.31
Rot. Bonds1

About 5,5-dimethyl-2-phenylpyrazolo[5,1-a]isoindole

5,5-dimethyl-2-phenylpyrazolo[5,1-a]isoindole (PubChem CID 15881031) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5,5-dimethyl-2-phenylpyrazolo[5,1-a]isoindole.

Molecular Properties

Compound Name5,5-dimethyl-2-phenylpyrazolo[5,1-a]isoindole
PubChem CID15881031
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name5,5-dimethyl-2-phenylpyrazolo[5,1-a]isoindole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3)nn21
InChIInChI=1S/C18H16N2/c1-18(2)15-11-7-6-10-14(15)17-12-16(19-20(17)18)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyKHWDHFOAGIUREZ-UHFFFAOYSA-N
XLogP4.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-phenylpyrazolo[5,1-a]isoindole?
The IUPAC name of 5,5-dimethyl-2-phenylpyrazolo[5,1-a]isoindole (CID 15881031) is 5,5-dimethyl-2-phenylpyrazolo[5,1-a]isoindole.
What is the SMILES notation for 5,5-dimethyl-2-phenylpyrazolo[5,1-a]isoindole?
The canonical SMILES for 5,5-dimethyl-2-phenylpyrazolo[5,1-a]isoindole is CC1(C)c2ccccc2-c2cc(-c3ccccc3)nn21.
What is the InChIKey of 5,5-dimethyl-2-phenylpyrazolo[5,1-a]isoindole?
The InChIKey is KHWDHFOAGIUREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-18(2)15-11-7-6-10-14(15)17-12-16(19-20(17)18)13-8-4-3-5-9-13/h3-12H,1-2H3.
What are the key properties of 5,5-dimethyl-2-phenylpyrazolo[5,1-a]isoindole?
5,5-dimethyl-2-phenylpyrazolo[5,1-a]isoindole has a molecular weight of 260.34 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-phenylpyrazolo[5,1-a]isoindole is sourced from PubChem (CID 15881031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).