5-ethyl-4-nitro-1H-pyrazole

C5H7N3O2 — CID 12565207

IUPAC5-ethyl-4-nitro-1H-pyrazole
SMILESCCc1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C5H7N3O2/c1-2-4-5(8(9)10)3-6-7-4/h3H,2H2,1H3,(H,6,7)
InChIKeyIZKKZGVEYKHLBN-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.88
Rot. Bonds2

About 5-ethyl-4-nitro-1H-pyrazole

5-ethyl-4-nitro-1H-pyrazole (PubChem CID 12565207) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-ethyl-4-nitro-1H-pyrazole.

Molecular Properties

Compound Name5-ethyl-4-nitro-1H-pyrazole
PubChem CID12565207
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name5-ethyl-4-nitro-1H-pyrazole
SMILESCCc1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C5H7N3O2/c1-2-4-5(8(9)10)3-6-7-4/h3H,2H2,1H3,(H,6,7)
InChIKeyIZKKZGVEYKHLBN-UHFFFAOYSA-N
XLogP0.88
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-ethyl-4-nitro-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-nitro-1H-pyrazole?
The IUPAC name of 5-ethyl-4-nitro-1H-pyrazole (CID 12565207) is 5-ethyl-4-nitro-1H-pyrazole.
What is the SMILES notation for 5-ethyl-4-nitro-1H-pyrazole?
The canonical SMILES for 5-ethyl-4-nitro-1H-pyrazole is CCc1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of 5-ethyl-4-nitro-1H-pyrazole?
The InChIKey is IZKKZGVEYKHLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-2-4-5(8(9)10)3-6-7-4/h3H,2H2,1H3,(H,6,7).
What are the key properties of 5-ethyl-4-nitro-1H-pyrazole?
5-ethyl-4-nitro-1H-pyrazole has a molecular weight of 141.13 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-nitro-1H-pyrazole is sourced from PubChem (CID 12565207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).