N'-benzoyl-1H-indazole-3-carbohydrazide

C15H12N4O2 — CID 4789701

IUPACN'-benzoyl-1H-indazole-3-carbohydrazide
SMILESO=C(NNC(=O)c1n[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C15H12N4O2/c20-14(10-6-2-1-3-7-10)18-19-15(21)13-11-8-4-5-9-12(11)16-17-13/h1-9H,(H,16,17)(H,18,20)(H,19,21)
InChIKeyZQECRGIWNUHJOI-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.64
Rot. Bonds2

About N'-benzoyl-1H-indazole-3-carbohydrazide

N'-benzoyl-1H-indazole-3-carbohydrazide (PubChem CID 4789701) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N'-benzoyl-1H-indazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-1H-indazole-3-carbohydrazide
PubChem CID4789701
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN'-benzoyl-1H-indazole-3-carbohydrazide
SMILESO=C(NNC(=O)c1n[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C15H12N4O2/c20-14(10-6-2-1-3-7-10)18-19-15(21)13-11-8-4-5-9-12(11)16-17-13/h1-9H,(H,16,17)(H,18,20)(H,19,21)
InChIKeyZQECRGIWNUHJOI-UHFFFAOYSA-N
XLogP1.64
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-1H-indazole-3-carbohydrazide?
The IUPAC name of N'-benzoyl-1H-indazole-3-carbohydrazide (CID 4789701) is N'-benzoyl-1H-indazole-3-carbohydrazide.
What is the SMILES notation for N'-benzoyl-1H-indazole-3-carbohydrazide?
The canonical SMILES for N'-benzoyl-1H-indazole-3-carbohydrazide is O=C(NNC(=O)c1n[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N'-benzoyl-1H-indazole-3-carbohydrazide?
The InChIKey is ZQECRGIWNUHJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-14(10-6-2-1-3-7-10)18-19-15(21)13-11-8-4-5-9-12(11)16-17-13/h1-9H,(H,16,17)(H,18,20)(H,19,21).
What are the key properties of N'-benzoyl-1H-indazole-3-carbohydrazide?
N'-benzoyl-1H-indazole-3-carbohydrazide has a molecular weight of 280.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-1H-indazole-3-carbohydrazide is sourced from PubChem (CID 4789701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).