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

C4H4N4O3 — CID 174455927

IUPACN-(4-nitro-1H-pyrazol-5-yl)formamide
SMILESO=CNc1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C4H4N4O3/c9-2-5-4-3(8(10)11)1-6-7-4/h1-2H,(H2,5,6,7,9)
InChIKeyGDYVAPJTDBFQRE-UHFFFAOYSA-N
MW156.10 g/mol
LogP-0.11
Rot. Bonds3

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

N-(4-nitro-1H-pyrazol-5-yl)formamide (PubChem CID 174455927) has the molecular formula C4H4N4O3 and a molecular weight of 156.10 g/mol. Its IUPAC name is N-(4-nitro-1H-pyrazol-5-yl)formamide.

Molecular Properties

Compound NameN-(4-nitro-1H-pyrazol-5-yl)formamide
PubChem CID174455927
Molecular FormulaC4H4N4O3
Molecular Weight156.10 g/mol
Exact Mass156.03
IUPAC NameN-(4-nitro-1H-pyrazol-5-yl)formamide
SMILESO=CNc1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C4H4N4O3/c9-2-5-4-3(8(10)11)1-6-7-4/h1-2H,(H2,5,6,7,9)
InChIKeyGDYVAPJTDBFQRE-UHFFFAOYSA-N
XLogP-0.11
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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)formamide?
The IUPAC name of N-(4-nitro-1H-pyrazol-5-yl)formamide (CID 174455927) is N-(4-nitro-1H-pyrazol-5-yl)formamide.
What is the SMILES notation for N-(4-nitro-1H-pyrazol-5-yl)formamide?
The canonical SMILES for N-(4-nitro-1H-pyrazol-5-yl)formamide is O=CNc1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of N-(4-nitro-1H-pyrazol-5-yl)formamide?
The InChIKey is GDYVAPJTDBFQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O3/c9-2-5-4-3(8(10)11)1-6-7-4/h1-2H,(H2,5,6,7,9).
What are the key properties of N-(4-nitro-1H-pyrazol-5-yl)formamide?
N-(4-nitro-1H-pyrazol-5-yl)formamide has a molecular weight of 156.10 g/mol, XLogP of -0.11, 3 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)formamide is sourced from PubChem (CID 174455927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).