3,5-dinitro-1H-pyrazol-4-amine

C3H3N5O4 — CID 11480728

IUPAC3,5-dinitro-1H-pyrazol-4-amine
SMILESNc1c([N+](=O)[O-])n[nH]c1[N+](=O)[O-]
InChIInChI=1S/C3H3N5O4/c4-1-2(7(9)10)5-6-3(1)8(11)12/h4H2,(H,5,6)
InChIKeyZDCGXVZZNAVVFJ-UHFFFAOYSA-N
MW173.09 g/mol
LogP-0.19
Rot. Bonds2

About 3,5-dinitro-1H-pyrazol-4-amine

3,5-dinitro-1H-pyrazol-4-amine (PubChem CID 11480728) has the molecular formula C3H3N5O4 and a molecular weight of 173.09 g/mol. Its IUPAC name is 3,5-dinitro-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dinitro-1H-pyrazol-4-amine
PubChem CID11480728
Molecular FormulaC3H3N5O4
Molecular Weight173.09 g/mol
Exact Mass173.02
IUPAC Name3,5-dinitro-1H-pyrazol-4-amine
SMILESNc1c([N+](=O)[O-])n[nH]c1[N+](=O)[O-]
InChIInChI=1S/C3H3N5O4/c4-1-2(7(9)10)5-6-3(1)8(11)12/h4H2,(H,5,6)
InChIKeyZDCGXVZZNAVVFJ-UHFFFAOYSA-N
XLogP-0.19
TPSA140.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.09
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3,5-dinitro-1H-pyrazol-4-amine?
The IUPAC name of 3,5-dinitro-1H-pyrazol-4-amine (CID 11480728) is 3,5-dinitro-1H-pyrazol-4-amine.
What is the SMILES notation for 3,5-dinitro-1H-pyrazol-4-amine?
The canonical SMILES for 3,5-dinitro-1H-pyrazol-4-amine is Nc1c([N+](=O)[O-])n[nH]c1[N+](=O)[O-].
What is the InChIKey of 3,5-dinitro-1H-pyrazol-4-amine?
The InChIKey is ZDCGXVZZNAVVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N5O4/c4-1-2(7(9)10)5-6-3(1)8(11)12/h4H2,(H,5,6).
What are the key properties of 3,5-dinitro-1H-pyrazol-4-amine?
3,5-dinitro-1H-pyrazol-4-amine has a molecular weight of 173.09 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-1H-pyrazol-4-amine is sourced from PubChem (CID 11480728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).