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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Related Compounds

3-methyl-1-[2-(4-nitropyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 102775407
2-ethyl-3-[2-(4-nitropyrazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 63790459
1-(4-nitro-1H-pyrrole-2-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432849
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(4-nitropyrazol-1-yl)ethanone
CID 106672071
1-(azepan-1-yl)-2-(4-nitropyrazol-1-yl)ethanone
CID 17383712
(3S)-1-[2-(4-nitropyrazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81125826
2-[1-[2-(4-nitropyrazol-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 78979809
cis-(1S,3R)-3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676054
1-[2-(aminomethyl)piperidin-1-yl]-2-(4-nitropyrazol-1-yl)ethanone;hydrochloride
CID 119467272
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-nitropyrazol-1-yl)ethanone
CID 700883
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-nitropyrazol-1-yl)ethanone;hydrochloride
CID 119649698

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).