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

C10H14N4O2 — CID 79531067

IUPAC1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(Cc2cn[nH]c2N)C1=O
InChIInChI=1S/C10H14N4O2/c1-10(2)3-7(15)14(9(10)16)5-6-4-12-13-8(6)11/h4H,3,5H2,1-2H3,(H3,11,12,13)
InChIKeyDNUAKSDIBZXUMQ-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.28
Rot. Bonds2

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

1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 79531067) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID79531067
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(Cc2cn[nH]c2N)C1=O
InChIInChI=1S/C10H14N4O2/c1-10(2)3-7(15)14(9(10)16)5-6-4-12-13-8(6)11/h4H,3,5H2,1-2H3,(H3,11,12,13)
InChIKeyDNUAKSDIBZXUMQ-UHFFFAOYSA-N
XLogP0.28
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.28
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 1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione (CID 79531067) is 1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(Cc2cn[nH]c2N)C1=O.
What is the InChIKey of 1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is DNUAKSDIBZXUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-10(2)3-7(15)14(9(10)16)5-6-4-12-13-8(6)11/h4H,3,5H2,1-2H3,(H3,11,12,13).
What are the key properties of 1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 222.25 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 79531067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).