2-[2-(dimethylamino)-1-phenylethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one

C22H24N4O — CID 71555267

IUPAC2-[2-(dimethylamino)-1-phenylethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one
SMILESCN(C)CC(c1ccccc1)N1Cc2cc(-c3ccnn3C)ccc2C1=O
InChIInChI=1S/C22H24N4O/c1-24(2)15-21(16-7-5-4-6-8-16)26-14-18-13-17(9-10-19(18)22(26)27)20-11-12-23-25(20)3/h4-13,21H,14-15H2,1-3H3
InChIKeyMUGZGQDMPLJKLW-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.35
Rot. Bonds5

About 2-[2-(dimethylamino)-1-phenylethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one

2-[2-(dimethylamino)-1-phenylethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one (PubChem CID 71555267) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-1-phenylethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)-1-phenylethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one
PubChem CID71555267
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-[2-(dimethylamino)-1-phenylethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one
SMILESCN(C)CC(c1ccccc1)N1Cc2cc(-c3ccnn3C)ccc2C1=O
InChIInChI=1S/C22H24N4O/c1-24(2)15-21(16-7-5-4-6-8-16)26-14-18-13-17(9-10-19(18)22(26)27)20-11-12-23-25(20)3/h4-13,21H,14-15H2,1-3H3
InChIKeyMUGZGQDMPLJKLW-UHFFFAOYSA-N
XLogP3.35
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-1-phenylethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one?
The IUPAC name of 2-[2-(dimethylamino)-1-phenylethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one (CID 71555267) is 2-[2-(dimethylamino)-1-phenylethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-[2-(dimethylamino)-1-phenylethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-[2-(dimethylamino)-1-phenylethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one is CN(C)CC(c1ccccc1)N1Cc2cc(-c3ccnn3C)ccc2C1=O.
What is the InChIKey of 2-[2-(dimethylamino)-1-phenylethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one?
The InChIKey is MUGZGQDMPLJKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-24(2)15-21(16-7-5-4-6-8-16)26-14-18-13-17(9-10-19(18)22(26)27)20-11-12-23-25(20)3/h4-13,21H,14-15H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)-1-phenylethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one?
2-[2-(dimethylamino)-1-phenylethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one has a molecular weight of 360.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-1-phenylethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 71555267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).