5-nitro-1H-pyrazol-4-amine

C3H4N4O2 — CID 15650389

IUPAC5-nitro-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1[N+](=O)[O-]
InChIInChI=1S/C3H4N4O2/c4-2-1-5-6-3(2)7(8)9/h1H,4H2,(H,5,6)
InChIKeyXPZVDIIFPQUKAP-UHFFFAOYSA-N
MW128.09 g/mol
LogP-0.10
Rot. Bonds1

About 5-nitro-1H-pyrazol-4-amine

5-nitro-1H-pyrazol-4-amine (PubChem CID 15650389) has the molecular formula C3H4N4O2 and a molecular weight of 128.09 g/mol. Its IUPAC name is 5-nitro-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-nitro-1H-pyrazol-4-amine
PubChem CID15650389
Molecular FormulaC3H4N4O2
Molecular Weight128.09 g/mol
Exact Mass128.03
IUPAC Name5-nitro-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1[N+](=O)[O-]
InChIInChI=1S/C3H4N4O2/c4-2-1-5-6-3(2)7(8)9/h1H,4H2,(H,5,6)
InChIKeyXPZVDIIFPQUKAP-UHFFFAOYSA-N
XLogP-0.10
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 5-0.10
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 5-nitro-1H-pyrazol-4-amine?
The IUPAC name of 5-nitro-1H-pyrazol-4-amine (CID 15650389) is 5-nitro-1H-pyrazol-4-amine.
What is the SMILES notation for 5-nitro-1H-pyrazol-4-amine?
The canonical SMILES for 5-nitro-1H-pyrazol-4-amine is Nc1cn[nH]c1[N+](=O)[O-].
What is the InChIKey of 5-nitro-1H-pyrazol-4-amine?
The InChIKey is XPZVDIIFPQUKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4O2/c4-2-1-5-6-3(2)7(8)9/h1H,4H2,(H,5,6).
What are the key properties of 5-nitro-1H-pyrazol-4-amine?
5-nitro-1H-pyrazol-4-amine has a molecular weight of 128.09 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1H-pyrazol-4-amine is sourced from PubChem (CID 15650389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).