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

C5H6N4O3 — CID 19807729

IUPACN-(4-nitro-1H-pyrazol-5-yl)acetamide
SMILESCC(=O)Nc1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C5H6N4O3/c1-3(10)7-5-4(9(11)12)2-6-8-5/h2H,1H3,(H2,6,7,8,10)
InChIKeyIIMPQAQKCPHLPN-UHFFFAOYSA-N
MW170.13 g/mol
LogP0.28
Rot. Bonds2

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

N-(4-nitro-1H-pyrazol-5-yl)acetamide (PubChem CID 19807729) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is N-(4-nitro-1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-nitro-1H-pyrazol-5-yl)acetamide
PubChem CID19807729
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC NameN-(4-nitro-1H-pyrazol-5-yl)acetamide
SMILESCC(=O)Nc1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C5H6N4O3/c1-3(10)7-5-4(9(11)12)2-6-8-5/h2H,1H3,(H2,6,7,8,10)
InChIKeyIIMPQAQKCPHLPN-UHFFFAOYSA-N
XLogP0.28
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-nitro-1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-(4-nitro-1H-pyrazol-5-yl)acetamide (CID 19807729) is N-(4-nitro-1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-(4-nitro-1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-(4-nitro-1H-pyrazol-5-yl)acetamide is CC(=O)Nc1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of N-(4-nitro-1H-pyrazol-5-yl)acetamide?
The InChIKey is IIMPQAQKCPHLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3/c1-3(10)7-5-4(9(11)12)2-6-8-5/h2H,1H3,(H2,6,7,8,10).
What are the key properties of N-(4-nitro-1H-pyrazol-5-yl)acetamide?
N-(4-nitro-1H-pyrazol-5-yl)acetamide has a molecular weight of 170.13 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitro-1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 19807729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).