6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one

C13H14N4O — CID 117357788

IUPAC6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2ccc(-c3cc(N)n(C)n3)cc2C1=O
InChIInChI=1S/C13H14N4O/c1-16-7-9-4-3-8(5-10(9)13(16)18)11-6-12(14)17(2)15-11/h3-6H,7,14H2,1-2H3
InChIKeyUAEUPQLGSAMUDC-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.25
Rot. Bonds1

About 6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one

6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one (PubChem CID 117357788) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one
PubChem CID117357788
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2ccc(-c3cc(N)n(C)n3)cc2C1=O
InChIInChI=1S/C13H14N4O/c1-16-7-9-4-3-8(5-10(9)13(16)18)11-6-12(14)17(2)15-11/h3-6H,7,14H2,1-2H3
InChIKeyUAEUPQLGSAMUDC-UHFFFAOYSA-N
XLogP1.25
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one?
The IUPAC name of 6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one (CID 117357788) is 6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one is CN1Cc2ccc(-c3cc(N)n(C)n3)cc2C1=O.
What is the InChIKey of 6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one?
The InChIKey is UAEUPQLGSAMUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-16-7-9-4-3-8(5-10(9)13(16)18)11-6-12(14)17(2)15-11/h3-6H,7,14H2,1-2H3.
What are the key properties of 6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one?
6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one has a molecular weight of 242.28 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-1-methylpyrazol-3-yl)-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 117357788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).