5-(indazol-1-ylmethyl)furan-2-carbohydrazide

C13H12N4O2 — CID 63578154

IUPAC5-(indazol-1-ylmethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2ncc3ccccc32)o1
InChIInChI=1S/C13H12N4O2/c14-16-13(18)12-6-5-10(19-12)8-17-11-4-2-1-3-9(11)7-15-17/h1-7H,8,14H2,(H,16,18)
InChIKeyMQUKJRIHSMIFNY-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.28
Rot. Bonds3

About 5-(indazol-1-ylmethyl)furan-2-carbohydrazide

5-(indazol-1-ylmethyl)furan-2-carbohydrazide (PubChem CID 63578154) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 5-(indazol-1-ylmethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(indazol-1-ylmethyl)furan-2-carbohydrazide
PubChem CID63578154
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Name5-(indazol-1-ylmethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2ncc3ccccc32)o1
InChIInChI=1S/C13H12N4O2/c14-16-13(18)12-6-5-10(19-12)8-17-11-4-2-1-3-9(11)7-15-17/h1-7H,8,14H2,(H,16,18)
InChIKeyMQUKJRIHSMIFNY-UHFFFAOYSA-N
XLogP1.28
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(indazol-1-ylmethyl)furan-2-carbohydrazide 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-(indazol-1-ylmethyl)furan-2-carbohydrazide?
The IUPAC name of 5-(indazol-1-ylmethyl)furan-2-carbohydrazide (CID 63578154) is 5-(indazol-1-ylmethyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(indazol-1-ylmethyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(indazol-1-ylmethyl)furan-2-carbohydrazide is NNC(=O)c1ccc(Cn2ncc3ccccc32)o1.
What is the InChIKey of 5-(indazol-1-ylmethyl)furan-2-carbohydrazide?
The InChIKey is MQUKJRIHSMIFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-16-13(18)12-6-5-10(19-12)8-17-11-4-2-1-3-9(11)7-15-17/h1-7H,8,14H2,(H,16,18).
What are the key properties of 5-(indazol-1-ylmethyl)furan-2-carbohydrazide?
5-(indazol-1-ylmethyl)furan-2-carbohydrazide has a molecular weight of 256.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(indazol-1-ylmethyl)furan-2-carbohydrazide is sourced from PubChem (CID 63578154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).