4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one

C19H15N3O — CID 723084

IUPAC4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1C=C1C=Nc2ccccc21
InChIInChI=1S/C19H15N3O/c1-13-17(11-14-12-20-18-10-6-5-9-16(14)18)19(23)22(21-13)15-7-3-2-4-8-15/h2-12,21H,1H3
InChIKeyIKFFZJLGDFSPDU-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.73
Rot. Bonds2

About 4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one

4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one (PubChem CID 723084) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
PubChem CID723084
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1C=C1C=Nc2ccccc21
InChIInChI=1S/C19H15N3O/c1-13-17(11-14-12-20-18-10-6-5-9-16(14)18)19(23)22(21-13)15-7-3-2-4-8-15/h2-12,21H,1H3
InChIKeyIKFFZJLGDFSPDU-UHFFFAOYSA-N
XLogP3.73
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(E)-indol-3-ylidenemethyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid
CID 18339050
2-(3,4-dimethylphenyl)-4-(indol-3-ylidenemethyl)-5-methyl-1H-pyrazol-3-one
CID 789590
2-chloro-5-[4-(indol-3-ylidenemethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid
CID 1252549
2-(3-chloro-2-methylphenyl)-4-(indol-3-ylidenemethyl)-5-methyl-1H-pyrazol-3-one
CID 885136
3-hydroxy-4-[(E)-indol-3-ylidenemethyl]-2-(4-methylphenyl)-1H-pyrazol-5-one
CID 135927408
4-[(E)-indol-3-ylidenemethyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 22059924
4-(indol-3-ylidenemethyl)-3-methyl-2H-1,2-oxazol-5-one
CID 27868285
2-(3,4-dimethylphenyl)-3-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-1H-pyrazol-5-one
CID 135432683
6-methyl-3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]quinolin-2-one
CID 801261
4-[(E)-[1-(4-chlorophenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 2253509
2-(2,4-dimethylphenyl)-3-hydroxy-4-(indol-3-ylidenemethyl)-1H-pyrazol-5-one
CID 137172398
4-(indol-3-ylidenemethyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrazol-3-one
CID 27877235

Frequently Asked Questions

What is the IUPAC name of 4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one (CID 723084) is 4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C=Nc2ccccc21.
What is the InChIKey of 4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one?
The InChIKey is IKFFZJLGDFSPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-13-17(11-14-12-20-18-10-6-5-9-16(14)18)19(23)22(21-13)15-7-3-2-4-8-15/h2-12,21H,1H3.
What are the key properties of 4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one?
4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one has a molecular weight of 301.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 723084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).