N-(5-amino-4-nitro-1H-pyrazol-3-yl)acetamide

C5H7N5O3 — CID 5191533

IUPACN-(5-amino-4-nitro-1H-pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1n[nH]c(N)c1[N+](=O)[O-]
InChIInChI=1S/C5H7N5O3/c1-2(11)7-5-3(10(12)13)4(6)8-9-5/h1H3,(H4,6,7,8,9,11)
InChIKeyUROXEOXFEFQSEQ-UHFFFAOYSA-N
MW185.14 g/mol
LogP-0.14
Rot. Bonds2

About N-(5-amino-4-nitro-1H-pyrazol-3-yl)acetamide

N-(5-amino-4-nitro-1H-pyrazol-3-yl)acetamide (PubChem CID 5191533) has the molecular formula C5H7N5O3 and a molecular weight of 185.14 g/mol. Its IUPAC name is N-(5-amino-4-nitro-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-4-nitro-1H-pyrazol-3-yl)acetamide
PubChem CID5191533
Molecular FormulaC5H7N5O3
Molecular Weight185.14 g/mol
Exact Mass185.05
IUPAC NameN-(5-amino-4-nitro-1H-pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1n[nH]c(N)c1[N+](=O)[O-]
InChIInChI=1S/C5H7N5O3/c1-2(11)7-5-3(10(12)13)4(6)8-9-5/h1H3,(H4,6,7,8,9,11)
InChIKeyUROXEOXFEFQSEQ-UHFFFAOYSA-N
XLogP-0.14
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(5-amino-4-nitro-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-(5-amino-4-nitro-1H-pyrazol-3-yl)acetamide (CID 5191533) is N-(5-amino-4-nitro-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-(5-amino-4-nitro-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-(5-amino-4-nitro-1H-pyrazol-3-yl)acetamide is CC(=O)Nc1n[nH]c(N)c1[N+](=O)[O-].
What is the InChIKey of N-(5-amino-4-nitro-1H-pyrazol-3-yl)acetamide?
The InChIKey is UROXEOXFEFQSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O3/c1-2(11)7-5-3(10(12)13)4(6)8-9-5/h1H3,(H4,6,7,8,9,11).
What are the key properties of N-(5-amino-4-nitro-1H-pyrazol-3-yl)acetamide?
N-(5-amino-4-nitro-1H-pyrazol-3-yl)acetamide has a molecular weight of 185.14 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-nitro-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 5191533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).