5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide

C9H11N5O3 — CID 110485263

IUPAC5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CC(=O)NC2=O)c1N
InChIInChI=1S/C9H11N5O3/c1-14-7(10)4(3-11-14)8(16)12-5-2-6(15)13-9(5)17/h3,5H,2,10H2,1H3,(H,12,16)(H,13,15,17)
InChIKeyZRKXXHNHYVADBE-UHFFFAOYSA-N
MW237.22 g/mol
LogP-1.85
Rot. Bonds2

About 5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide

5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 110485263) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide
PubChem CID110485263
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CC(=O)NC2=O)c1N
InChIInChI=1S/C9H11N5O3/c1-14-7(10)4(3-11-14)8(16)12-5-2-6(15)13-9(5)17/h3,5H,2,10H2,1H3,(H,12,16)(H,13,15,17)
InChIKeyZRKXXHNHYVADBE-UHFFFAOYSA-N
XLogP-1.85
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide (CID 110485263) is 5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC2CC(=O)NC2=O)c1N.
What is the InChIKey of 5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is ZRKXXHNHYVADBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c1-14-7(10)4(3-11-14)8(16)12-5-2-6(15)13-9(5)17/h3,5H,2,10H2,1H3,(H,12,16)(H,13,15,17).
What are the key properties of 5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 237.22 g/mol, XLogP of -1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,5-dioxopyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 110485263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).