5-methyl-3-nitropyrazol-1-amine

C4H6N4O2 — CID 534268

IUPAC5-methyl-3-nitropyrazol-1-amine
SMILESCc1cc([N+](=O)[O-])nn1N
InChIInChI=1S/C4H6N4O2/c1-3-2-4(8(9)10)6-7(3)5/h2H,5H2,1H3
InChIKeyFOQGRNCMLMGLFF-UHFFFAOYSA-N
MW142.12 g/mol
LogP-0.19
Rot. Bonds1

About 5-methyl-3-nitropyrazol-1-amine

5-methyl-3-nitropyrazol-1-amine (PubChem CID 534268) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 5-methyl-3-nitropyrazol-1-amine.

Molecular Properties

Compound Name5-methyl-3-nitropyrazol-1-amine
PubChem CID534268
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name5-methyl-3-nitropyrazol-1-amine
SMILESCc1cc([N+](=O)[O-])nn1N
InChIInChI=1S/C4H6N4O2/c1-3-2-4(8(9)10)6-7(3)5/h2H,5H2,1H3
InChIKeyFOQGRNCMLMGLFF-UHFFFAOYSA-N
XLogP-0.19
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
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 5-methyl-3-nitropyrazol-1-amine?
The IUPAC name of 5-methyl-3-nitropyrazol-1-amine (CID 534268) is 5-methyl-3-nitropyrazol-1-amine.
What is the SMILES notation for 5-methyl-3-nitropyrazol-1-amine?
The canonical SMILES for 5-methyl-3-nitropyrazol-1-amine is Cc1cc([N+](=O)[O-])nn1N.
What is the InChIKey of 5-methyl-3-nitropyrazol-1-amine?
The InChIKey is FOQGRNCMLMGLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c1-3-2-4(8(9)10)6-7(3)5/h2H,5H2,1H3.
What are the key properties of 5-methyl-3-nitropyrazol-1-amine?
5-methyl-3-nitropyrazol-1-amine has a molecular weight of 142.12 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitropyrazol-1-amine is sourced from PubChem (CID 534268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).