2-(3-nitropyrazol-1-yl)ethanimidamide

C5H7N5O2 — CID 75480582

IUPAC2-(3-nitropyrazol-1-yl)ethanimidamide
SMILES[H]/N=C(\N)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C5H7N5O2/c6-4(7)3-9-2-1-5(8-9)10(11)12/h1-2H,3H2,(H3,6,7)
InChIKeyIJRWJUFGQVJTJH-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.27
Rot. Bonds3

About 2-(3-nitropyrazol-1-yl)ethanimidamide

2-(3-nitropyrazol-1-yl)ethanimidamide (PubChem CID 75480582) has the molecular formula C5H7N5O2 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2-(3-nitropyrazol-1-yl)ethanimidamide.

Molecular Properties

Compound Name2-(3-nitropyrazol-1-yl)ethanimidamide
PubChem CID75480582
Molecular FormulaC5H7N5O2
Molecular Weight169.14 g/mol
Exact Mass169.06
IUPAC Name2-(3-nitropyrazol-1-yl)ethanimidamide
SMILES[H]/N=C(\N)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C5H7N5O2/c6-4(7)3-9-2-1-5(8-9)10(11)12/h1-2H,3H2,(H3,6,7)
InChIKeyIJRWJUFGQVJTJH-UHFFFAOYSA-N
XLogP-0.27
TPSA110.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-nitropyrazol-1-yl)pentan-2-one
CID 62041636
1-(bromomethyl)-3-nitropyrazole
CID 58266069
1-[(3-nitropyrazol-1-yl)methyl]cyclopropan-1-ol
CID 67189200
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-(3-nitropyrazol-1-yl)acetate
CID 19291877
2-(2-nitroimidazol-1-yl)ethanimidamide
CID 121403945
N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 557433
N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide
CID 19521509
2-amino-3-(3-nitropyrazol-1-yl)propanoic acid
CID 64581886
1-(5-ethylthiophen-2-yl)-2-(3-nitropyrazol-1-yl)ethanone
CID 62023275
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 119609406
N-[3-(dimethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521579
ethyl 2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]propanoate
CID 47415830

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitropyrazol-1-yl)ethanimidamide?
The IUPAC name of 2-(3-nitropyrazol-1-yl)ethanimidamide (CID 75480582) is 2-(3-nitropyrazol-1-yl)ethanimidamide.
What is the SMILES notation for 2-(3-nitropyrazol-1-yl)ethanimidamide?
The canonical SMILES for 2-(3-nitropyrazol-1-yl)ethanimidamide is [H]/N=C(\N)Cn1ccc([N+](=O)[O-])n1.
What is the InChIKey of 2-(3-nitropyrazol-1-yl)ethanimidamide?
The InChIKey is IJRWJUFGQVJTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O2/c6-4(7)3-9-2-1-5(8-9)10(11)12/h1-2H,3H2,(H3,6,7).
What are the key properties of 2-(3-nitropyrazol-1-yl)ethanimidamide?
2-(3-nitropyrazol-1-yl)ethanimidamide has a molecular weight of 169.14 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitropyrazol-1-yl)ethanimidamide is sourced from PubChem (CID 75480582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).