3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one

C19H15N3O2 — CID 135927408

IUPAC3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one
SMILESCc1ccc(-n2[nH]c(=O)c(/C=C3/C=Nc4ccccc43)c2O)cc1
InChIInChI=1S/C19H15N3O2/c1-12-6-8-14(9-7-12)22-19(24)16(18(23)21-22)10-13-11-20-17-5-3-2-4-15(13)17/h2-11,24H,1H3,(H,21,23)/b13-10-
InChIKeyUYOYVJGCMKBTRQ-RAXLEYEMSA-N
MW317.35 g/mol
LogP3.44
Rot. Bonds2

About 3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one

3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one (PubChem CID 135927408) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one
PubChem CID135927408
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one
SMILESCc1ccc(-n2[nH]c(=O)c(/C=C3/C=Nc4ccccc43)c2O)cc1
InChIInChI=1S/C19H15N3O2/c1-12-6-8-14(9-7-12)22-19(24)16(18(23)21-22)10-13-11-20-17-5-3-2-4-15(13)17/h2-11,24H,1H3,(H,21,23)/b13-10-
InChIKeyUYOYVJGCMKBTRQ-RAXLEYEMSA-N
XLogP3.44
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one
CID 135432683
2-(2,4-dimethylphenyl)-3-hydroxy-4-(indol-3-ylidenemethyl)-1H-pyrazol-5-one
CID 137172398
4-[(5-bromoindol-3-ylidene)methyl]-3-hydroxy-2-phenyl-1H-pyrazol-5-one
CID 137147657
6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione
CID 762363
4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 723084
2-(4-chlorophenyl)-3-hydroxy-4-[(2-methylindol-3-ylidene)methyl]-1H-pyrazol-5-one
CID 4159377
1-(4-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135469945
4-[4-[(E)-indol-3-ylidenemethyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid
CID 18339050
1-(4-ethylphenyl)-6-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidenepyrimidin-4-one
CID 3941895
1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 620473
6-hydroxy-5-(indol-3-ylidenemethyl)-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione
CID 1360329
1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 951728

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one?
The IUPAC name of 3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one (CID 135927408) is 3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one.
What is the SMILES notation for 3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one?
The canonical SMILES for 3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one is Cc1ccc(-n2[nH]c(=O)c(/C=C3/C=Nc4ccccc43)c2O)cc1.
What is the InChIKey of 3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one?
The InChIKey is UYOYVJGCMKBTRQ-RAXLEYEMSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-12-6-8-14(9-7-12)22-19(24)16(18(23)21-22)10-13-11-20-17-5-3-2-4-15(13)17/h2-11,24H,1H3,(H,21,23)/b13-10-.
What are the key properties of 3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one?
3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one has a molecular weight of 317.35 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one is sourced from PubChem (CID 135927408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).