2-(4-nitro-1H-pyrazol-5-yl)ethyl formate

C6H7N3O4 — CID 174492612

IUPAC2-(4-nitro-1H-pyrazol-5-yl)ethyl formate
SMILESO=COCCc1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C6H7N3O4/c10-4-13-2-1-5-6(9(11)12)3-7-8-5/h3-4H,1-2H2,(H,7,8)
InChIKeyNVWAXOAEHBAMRM-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.03
Rot. Bonds5

About 2-(4-nitro-1H-pyrazol-5-yl)ethyl formate

2-(4-nitro-1H-pyrazol-5-yl)ethyl formate (PubChem CID 174492612) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2-(4-nitro-1H-pyrazol-5-yl)ethyl formate.

Molecular Properties

Compound Name2-(4-nitro-1H-pyrazol-5-yl)ethyl formate
PubChem CID174492612
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC Name2-(4-nitro-1H-pyrazol-5-yl)ethyl formate
SMILESO=COCCc1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C6H7N3O4/c10-4-13-2-1-5-6(9(11)12)3-7-8-5/h3-4H,1-2H2,(H,7,8)
InChIKeyNVWAXOAEHBAMRM-UHFFFAOYSA-N
XLogP0.03
TPSA98.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-nitro-1H-pyrazol-5-yl)ethyl formate 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 2-(4-nitro-1H-pyrazol-5-yl)ethyl formate?
The IUPAC name of 2-(4-nitro-1H-pyrazol-5-yl)ethyl formate (CID 174492612) is 2-(4-nitro-1H-pyrazol-5-yl)ethyl formate.
What is the SMILES notation for 2-(4-nitro-1H-pyrazol-5-yl)ethyl formate?
The canonical SMILES for 2-(4-nitro-1H-pyrazol-5-yl)ethyl formate is O=COCCc1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of 2-(4-nitro-1H-pyrazol-5-yl)ethyl formate?
The InChIKey is NVWAXOAEHBAMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4/c10-4-13-2-1-5-6(9(11)12)3-7-8-5/h3-4H,1-2H2,(H,7,8).
What are the key properties of 2-(4-nitro-1H-pyrazol-5-yl)ethyl formate?
2-(4-nitro-1H-pyrazol-5-yl)ethyl formate has a molecular weight of 185.14 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitro-1H-pyrazol-5-yl)ethyl formate is sourced from PubChem (CID 174492612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).