1-ethyl-3-nitropyrazol-5-amine

C5H8N4O2 — CID 146680468

IUPAC1-ethyl-3-nitropyrazol-5-amine
SMILESCCn1nc([N+](=O)[O-])cc1N
InChIInChI=1S/C5H8N4O2/c1-2-8-4(6)3-5(7-8)9(10)11/h3H,2,6H2,1H3
InChIKeyGVZSHZCAURNQEK-UHFFFAOYSA-N
MW156.15 g/mol
LogP0.39
Rot. Bonds2

About 1-ethyl-3-nitropyrazol-5-amine

1-ethyl-3-nitropyrazol-5-amine (PubChem CID 146680468) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 1-ethyl-3-nitropyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-nitropyrazol-5-amine
PubChem CID146680468
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name1-ethyl-3-nitropyrazol-5-amine
SMILESCCn1nc([N+](=O)[O-])cc1N
InChIInChI=1S/C5H8N4O2/c1-2-8-4(6)3-5(7-8)9(10)11/h3H,2,6H2,1H3
InChIKeyGVZSHZCAURNQEK-UHFFFAOYSA-N
XLogP0.39
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 50.39
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 1-ethyl-3-nitropyrazol-5-amine?
The IUPAC name of 1-ethyl-3-nitropyrazol-5-amine (CID 146680468) is 1-ethyl-3-nitropyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-nitropyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-nitropyrazol-5-amine is CCn1nc([N+](=O)[O-])cc1N.
What is the InChIKey of 1-ethyl-3-nitropyrazol-5-amine?
The InChIKey is GVZSHZCAURNQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-2-8-4(6)3-5(7-8)9(10)11/h3H,2,6H2,1H3.
What are the key properties of 1-ethyl-3-nitropyrazol-5-amine?
1-ethyl-3-nitropyrazol-5-amine has a molecular weight of 156.15 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-nitropyrazol-5-amine is sourced from PubChem (CID 146680468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).