4-[(E)-indol-3-ylidenemethyl]-5-(phenoxymethyl)-1,2-dihydropyrazol-3-one

C19H15N3O2 — CID 22059829

IUPAC4-[(E)-indol-3-ylidenemethyl]-5-(phenoxymethyl)-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(COc2ccccc2)c1/C=C1/C=Nc2ccccc21
InChIInChI=1S/C19H15N3O2/c23-19-16(10-13-11-20-17-9-5-4-8-15(13)17)18(21-22-19)12-24-14-6-2-1-3-7-14/h1-11H,12H2,(H2,21,22,23)/b13-10-
InChIKeyOQYCJYNRLVQMKC-RAXLEYEMSA-N
MW317.35 g/mol
LogP3.54
Rot. Bonds4

About 4-[(E)-indol-3-ylidenemethyl]-5-(phenoxymethyl)-1,2-dihydropyrazol-3-one

4-[(E)-indol-3-ylidenemethyl]-5-(phenoxymethyl)-1,2-dihydropyrazol-3-one (PubChem CID 22059829) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[(E)-indol-3-ylidenemethyl]-5-(phenoxymethyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(E)-indol-3-ylidenemethyl]-5-(phenoxymethyl)-1,2-dihydropyrazol-3-one
PubChem CID22059829
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name4-[(E)-indol-3-ylidenemethyl]-5-(phenoxymethyl)-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(COc2ccccc2)c1/C=C1/C=Nc2ccccc21
InChIInChI=1S/C19H15N3O2/c23-19-16(10-13-11-20-17-9-5-4-8-15(13)17)18(21-22-19)12-24-14-6-2-1-3-7-14/h1-11H,12H2,(H2,21,22,23)/b13-10-
InChIKeyOQYCJYNRLVQMKC-RAXLEYEMSA-N
XLogP3.54
TPSA70.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chlorophenoxy)methyl]-4-[(E)-indol-3-ylidenemethyl]-1,2-dihydropyrazol-3-one
CID 22059565
4-[(E)-indol-3-ylidenemethyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 22059924
3-[4-[(E)-indol-3-ylidenemethyl]-5-oxo-1,2-dihydropyrazol-3-yl]-N,N-dimethylpropanamide
CID 22059445
4-[(Z)-indol-3-ylidenemethyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one
CID 87939151
4-(indol-3-ylidenemethyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrazol-3-one
CID 27877235
6-hydroxy-5-[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 135467574
6-hydroxy-5-[(E)-(5-phenylmethoxyindol-3-ylidene)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 135468644
5-phenyl-4-[(E)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,2-dihydropyrazol-3-one
CID 22059933
1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 951728
6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione
CID 762363
1-(2,5-diethoxyphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 137162220
1-(4-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135469945

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-indol-3-ylidenemethyl]-5-(phenoxymethyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(E)-indol-3-ylidenemethyl]-5-(phenoxymethyl)-1,2-dihydropyrazol-3-one (CID 22059829) is 4-[(E)-indol-3-ylidenemethyl]-5-(phenoxymethyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(E)-indol-3-ylidenemethyl]-5-(phenoxymethyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(E)-indol-3-ylidenemethyl]-5-(phenoxymethyl)-1,2-dihydropyrazol-3-one is O=c1[nH][nH]c(COc2ccccc2)c1/C=C1/C=Nc2ccccc21.
What is the InChIKey of 4-[(E)-indol-3-ylidenemethyl]-5-(phenoxymethyl)-1,2-dihydropyrazol-3-one?
The InChIKey is OQYCJYNRLVQMKC-RAXLEYEMSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-19-16(10-13-11-20-17-9-5-4-8-15(13)17)18(21-22-19)12-24-14-6-2-1-3-7-14/h1-11H,12H2,(H2,21,22,23)/b13-10-.
What are the key properties of 4-[(E)-indol-3-ylidenemethyl]-5-(phenoxymethyl)-1,2-dihydropyrazol-3-one?
4-[(E)-indol-3-ylidenemethyl]-5-(phenoxymethyl)-1,2-dihydropyrazol-3-one has a molecular weight of 317.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-indol-3-ylidenemethyl]-5-(phenoxymethyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 22059829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).