(E)-N-indazol-1-yl-1-(4-methoxyphenyl)methanimine

C15H13N3O — CID 6900079

IUPAC(E)-N-indazol-1-yl-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/n2ncc3ccccc32)cc1
InChIInChI=1S/C15H13N3O/c1-19-14-8-6-12(7-9-14)10-16-18-15-5-3-2-4-13(15)11-17-18/h2-11H,1H3/b16-10+
InChIKeyUEPOACHPMLAHQF-MHWRWJLKSA-N
MW251.29 g/mol
LogP2.93
Rot. Bonds3

About (E)-N-indazol-1-yl-1-(4-methoxyphenyl)methanimine

(E)-N-indazol-1-yl-1-(4-methoxyphenyl)methanimine (PubChem CID 6900079) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (E)-N-indazol-1-yl-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-indazol-1-yl-1-(4-methoxyphenyl)methanimine
PubChem CID6900079
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(E)-N-indazol-1-yl-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/n2ncc3ccccc32)cc1
InChIInChI=1S/C15H13N3O/c1-19-14-8-6-12(7-9-14)10-16-18-15-5-3-2-4-13(15)11-17-18/h2-11H,1H3/b16-10+
InChIKeyUEPOACHPMLAHQF-MHWRWJLKSA-N
XLogP2.93
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-indazol-1-yl-1-(4-methoxyphenyl)methanimine?
The IUPAC name of (E)-N-indazol-1-yl-1-(4-methoxyphenyl)methanimine (CID 6900079) is (E)-N-indazol-1-yl-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-indazol-1-yl-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for (E)-N-indazol-1-yl-1-(4-methoxyphenyl)methanimine is COc1ccc(/C=N/n2ncc3ccccc32)cc1.
What is the InChIKey of (E)-N-indazol-1-yl-1-(4-methoxyphenyl)methanimine?
The InChIKey is UEPOACHPMLAHQF-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H13N3O/c1-19-14-8-6-12(7-9-14)10-16-18-15-5-3-2-4-13(15)11-17-18/h2-11H,1H3/b16-10+.
What are the key properties of (E)-N-indazol-1-yl-1-(4-methoxyphenyl)methanimine?
(E)-N-indazol-1-yl-1-(4-methoxyphenyl)methanimine has a molecular weight of 251.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-indazol-1-yl-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 6900079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).