[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone

C23H19N3O — CID 142037641

IUPAC[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone
SMILESCNc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C23H19N3O/c1-24-19-9-5-8-17(14-19)23(27)18-11-12-20-21(25-26-22(20)15-18)13-10-16-6-3-2-4-7-16/h2-15,24H,1H3,(H,25,26)/b13-10+
InChIKeyQYSFHZDOHPTMJD-JLHYYAGUSA-N
MW353.43 g/mol
LogP5.01
Rot. Bonds5

About [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone

[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone (PubChem CID 142037641) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone.

Molecular Properties

Compound Name[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone
PubChem CID142037641
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone
SMILESCNc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C23H19N3O/c1-24-19-9-5-8-17(14-19)23(27)18-11-12-20-21(25-26-22(20)15-18)13-10-16-6-3-2-4-7-16/h2-15,24H,1H3,(H,25,26)/b13-10+
InChIKeyQYSFHZDOHPTMJD-JLHYYAGUSA-N
XLogP5.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone?
The IUPAC name of [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone (CID 142037641) is [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone.
What is the SMILES notation for [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone?
The canonical SMILES for [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone is CNc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1.
What is the InChIKey of [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone?
The InChIKey is QYSFHZDOHPTMJD-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H19N3O/c1-24-19-9-5-8-17(14-19)23(27)18-11-12-20-21(25-26-22(20)15-18)13-10-16-6-3-2-4-7-16/h2-15,24H,1H3,(H,25,26)/b13-10+.
What are the key properties of [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone?
[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone has a molecular weight of 353.43 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone is sourced from PubChem (CID 142037641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).