2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione

C14H14N4O2 — CID 103430970

IUPAC2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(Cc1cn[nH]c1N)C2=O
InChIInChI=1S/C14H14N4O2/c1-7-3-4-8(2)11-10(7)13(19)18(14(11)20)6-9-5-16-17-12(9)15/h3-5H,6H2,1-2H3,(H3,15,16,17)
InChIKeyVHMJCAQKBOURPD-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.40
Rot. Bonds2

About 2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione

2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione (PubChem CID 103430970) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione
PubChem CID103430970
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(Cc1cn[nH]c1N)C2=O
InChIInChI=1S/C14H14N4O2/c1-7-3-4-8(2)11-10(7)13(19)18(14(11)20)6-9-5-16-17-12(9)15/h3-5H,6H2,1-2H3,(H3,15,16,17)
InChIKeyVHMJCAQKBOURPD-UHFFFAOYSA-N
XLogP1.40
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione?
The IUPAC name of 2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione (CID 103430970) is 2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione.
What is the SMILES notation for 2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione?
The canonical SMILES for 2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione is Cc1ccc(C)c2c1C(=O)N(Cc1cn[nH]c1N)C2=O.
What is the InChIKey of 2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione?
The InChIKey is VHMJCAQKBOURPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-7-3-4-8(2)11-10(7)13(19)18(14(11)20)6-9-5-16-17-12(9)15/h3-5H,6H2,1-2H3,(H3,15,16,17).
What are the key properties of 2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione?
2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione has a molecular weight of 270.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-pyrazol-4-yl)methyl]-4,7-dimethylisoindole-1,3-dione is sourced from PubChem (CID 103430970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).