N-[4-formyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]benzohydrazide

C15H11N5O5 — CID 88806523

IUPACN-[4-formyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]benzohydrazide
SMILESNN(C(=O)c1ccccc1)n1cc(C=O)c(-c2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C15H11N5O5/c16-19(15(22)10-4-2-1-3-5-10)18-8-11(9-21)14(17-18)12-6-7-13(25-12)20(23)24/h1-9H,16H2
InChIKeyWAKMGXQYJHNQCQ-UHFFFAOYSA-N
MW341.28 g/mol
LogP1.52
Rot. Bonds5

About N-[4-formyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]benzohydrazide

N-[4-formyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]benzohydrazide (PubChem CID 88806523) has the molecular formula C15H11N5O5 and a molecular weight of 341.28 g/mol. Its IUPAC name is N-[4-formyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]benzohydrazide.

Molecular Properties

Compound NameN-[4-formyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]benzohydrazide
PubChem CID88806523
Molecular FormulaC15H11N5O5
Molecular Weight341.28 g/mol
Exact Mass341.08
IUPAC NameN-[4-formyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]benzohydrazide
SMILESNN(C(=O)c1ccccc1)n1cc(C=O)c(-c2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C15H11N5O5/c16-19(15(22)10-4-2-1-3-5-10)18-8-11(9-21)14(17-18)12-6-7-13(25-12)20(23)24/h1-9H,16H2
InChIKeyWAKMGXQYJHNQCQ-UHFFFAOYSA-N
XLogP1.52
TPSA137.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-formyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]benzohydrazide 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 N-[4-formyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]benzohydrazide?
The IUPAC name of N-[4-formyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]benzohydrazide (CID 88806523) is N-[4-formyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]benzohydrazide.
What is the SMILES notation for N-[4-formyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]benzohydrazide?
The canonical SMILES for N-[4-formyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]benzohydrazide is NN(C(=O)c1ccccc1)n1cc(C=O)c(-c2ccc([N+](=O)[O-])o2)n1.
What is the InChIKey of N-[4-formyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]benzohydrazide?
The InChIKey is WAKMGXQYJHNQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O5/c16-19(15(22)10-4-2-1-3-5-10)18-8-11(9-21)14(17-18)12-6-7-13(25-12)20(23)24/h1-9H,16H2.
What are the key properties of N-[4-formyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]benzohydrazide?
N-[4-formyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]benzohydrazide has a molecular weight of 341.28 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-formyl-3-(5-nitrofuran-2-yl)pyrazol-1-yl]benzohydrazide is sourced from PubChem (CID 88806523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).