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

C15H15BrN4O — CID 6862977

IUPACN-[(E)-(4-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N/N=C/c1ccc(Br)cc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H15BrN4O/c16-11-7-5-10(6-8-11)9-17-20-15(21)14-12-3-1-2-4-13(12)18-19-14/h5-9H,1-4H2,(H,18,19)(H,20,21)/b17-9+
InChIKeySLFDXBVSQBPXOA-RQZCQDPDSA-N
MW347.22 g/mol
LogP2.81
Rot. Bonds3

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

N-[(E)-(4-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 6862977) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID6862977
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(N/N=C/c1ccc(Br)cc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H15BrN4O/c16-11-7-5-10(6-8-11)9-17-20-15(21)14-12-3-1-2-4-13(12)18-19-14/h5-9H,1-4H2,(H,18,19)(H,20,21)/b17-9+
InChIKeySLFDXBVSQBPXOA-RQZCQDPDSA-N
XLogP2.81
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.81
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 6862977) is N-[(E)-(4-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(N/N=C/c1ccc(Br)cc1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is SLFDXBVSQBPXOA-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H15BrN4O/c16-11-7-5-10(6-8-11)9-17-20-15(21)14-12-3-1-2-4-13(12)18-19-14/h5-9H,1-4H2,(H,18,19)(H,20,21)/b17-9+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(E)-(4-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 347.22 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 6862977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).