N-(1-amino-4-nitropyrazol-5-yl)acetamide

C5H7N5O3 — CID 143196302

IUPACN-(1-amino-4-nitropyrazol-5-yl)acetamide
SMILESCC(=O)Nc1c([N+](=O)[O-])cnn1N
InChIInChI=1S/C5H7N5O3/c1-3(11)8-5-4(10(12)13)2-7-9(5)6/h2H,6H2,1H3,(H,8,11)
InChIKeyCFEZREPMYFIYLH-UHFFFAOYSA-N
MW185.14 g/mol
LogP-0.54
Rot. Bonds2

About N-(1-amino-4-nitropyrazol-5-yl)acetamide

N-(1-amino-4-nitropyrazol-5-yl)acetamide (PubChem CID 143196302) has the molecular formula C5H7N5O3 and a molecular weight of 185.14 g/mol. Its IUPAC name is N-(1-amino-4-nitropyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-4-nitropyrazol-5-yl)acetamide
PubChem CID143196302
Molecular FormulaC5H7N5O3
Molecular Weight185.14 g/mol
Exact Mass185.05
IUPAC NameN-(1-amino-4-nitropyrazol-5-yl)acetamide
SMILESCC(=O)Nc1c([N+](=O)[O-])cnn1N
InChIInChI=1S/C5H7N5O3/c1-3(11)8-5-4(10(12)13)2-7-9(5)6/h2H,6H2,1H3,(H,8,11)
InChIKeyCFEZREPMYFIYLH-UHFFFAOYSA-N
XLogP-0.54
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-(1-amino-4-nitropyrazol-5-yl)acetamide?
The IUPAC name of N-(1-amino-4-nitropyrazol-5-yl)acetamide (CID 143196302) is N-(1-amino-4-nitropyrazol-5-yl)acetamide.
What is the SMILES notation for N-(1-amino-4-nitropyrazol-5-yl)acetamide?
The canonical SMILES for N-(1-amino-4-nitropyrazol-5-yl)acetamide is CC(=O)Nc1c([N+](=O)[O-])cnn1N.
What is the InChIKey of N-(1-amino-4-nitropyrazol-5-yl)acetamide?
The InChIKey is CFEZREPMYFIYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O3/c1-3(11)8-5-4(10(12)13)2-7-9(5)6/h2H,6H2,1H3,(H,8,11).
What are the key properties of N-(1-amino-4-nitropyrazol-5-yl)acetamide?
N-(1-amino-4-nitropyrazol-5-yl)acetamide has a molecular weight of 185.14 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-nitropyrazol-5-yl)acetamide is sourced from PubChem (CID 143196302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).