N-[(E)-benzylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C15H16N4O — CID 6864069

IUPACN-[(E)-benzylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H16N4O/c20-15(19-16-10-11-6-2-1-3-7-11)14-12-8-4-5-9-13(12)17-18-14/h1-3,6-7,10H,4-5,8-9H2,(H,17,18)(H,19,20)/b16-10+
InChIKeyLKFJNKJXMSTYLX-MHWRWJLKSA-N
MW268.32 g/mol
LogP2.05
Rot. Bonds3

About N-[(E)-benzylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(E)-benzylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 6864069) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID6864069
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[(E)-benzylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H16N4O/c20-15(19-16-10-11-6-2-1-3-7-11)14-12-8-4-5-9-13(12)17-18-14/h1-3,6-7,10H,4-5,8-9H2,(H,17,18)(H,19,20)/b16-10+
InChIKeyLKFJNKJXMSTYLX-MHWRWJLKSA-N
XLogP2.05
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-benzylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide 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-[(E)-benzylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(E)-benzylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 6864069) is N-[(E)-benzylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(N/N=C/c1ccccc1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[(E)-benzylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is LKFJNKJXMSTYLX-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H16N4O/c20-15(19-16-10-11-6-2-1-3-7-11)14-12-8-4-5-9-13(12)17-18-14/h1-3,6-7,10H,4-5,8-9H2,(H,17,18)(H,19,20)/b16-10+.
What are the key properties of N-[(E)-benzylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(E)-benzylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 6864069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).