1-[2-(4-nitropyrazol-1-yl)acetyl]-5-oxopiperazine-2-carboxylic acid

C10H11N5O6 — CID 107432947

IUPAC1-[2-(4-nitropyrazol-1-yl)acetyl]-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C(C(=O)O)CN1
InChIInChI=1S/C10H11N5O6/c16-8-4-14(7(2-11-8)10(18)19)9(17)5-13-3-6(1-12-13)15(20)21/h1,3,7H,2,4-5H2,(H,11,16)(H,18,19)
InChIKeyGLJCZGWTDUMAGZ-UHFFFAOYSA-N
MW297.23 g/mol
LogP-1.80
Rot. Bonds4

About 1-[2-(4-nitropyrazol-1-yl)acetyl]-5-oxopiperazine-2-carboxylic acid

1-[2-(4-nitropyrazol-1-yl)acetyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107432947) has the molecular formula C10H11N5O6 and a molecular weight of 297.23 g/mol. Its IUPAC name is 1-[2-(4-nitropyrazol-1-yl)acetyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-nitropyrazol-1-yl)acetyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107432947
Molecular FormulaC10H11N5O6
Molecular Weight297.23 g/mol
Exact Mass297.07
IUPAC Name1-[2-(4-nitropyrazol-1-yl)acetyl]-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C(C(=O)O)CN1
InChIInChI=1S/C10H11N5O6/c16-8-4-14(7(2-11-8)10(18)19)9(17)5-13-3-6(1-12-13)15(20)21/h1,3,7H,2,4-5H2,(H,11,16)(H,18,19)
InChIKeyGLJCZGWTDUMAGZ-UHFFFAOYSA-N
XLogP-1.80
TPSA147.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-nitropyrazol-1-yl)acetyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-nitropyrazol-1-yl)acetyl]-5-oxopiperazine-2-carboxylic acid (CID 107432947) is 1-[2-(4-nitropyrazol-1-yl)acetyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-nitropyrazol-1-yl)acetyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-nitropyrazol-1-yl)acetyl]-5-oxopiperazine-2-carboxylic acid is O=C1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C(C(=O)O)CN1.
What is the InChIKey of 1-[2-(4-nitropyrazol-1-yl)acetyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is GLJCZGWTDUMAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O6/c16-8-4-14(7(2-11-8)10(18)19)9(17)5-13-3-6(1-12-13)15(20)21/h1,3,7H,2,4-5H2,(H,11,16)(H,18,19).
What are the key properties of 1-[2-(4-nitropyrazol-1-yl)acetyl]-5-oxopiperazine-2-carboxylic acid?
1-[2-(4-nitropyrazol-1-yl)acetyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 297.23 g/mol, XLogP of -1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-nitropyrazol-1-yl)acetyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107432947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).