4-[(Z)-(7-methylindol-3-ylidene)methyl]-5-(1-phenylethyl)-1,2-dihydropyrazol-3-one

C21H19N3O — CID 22059542

IUPAC4-[(Z)-(7-methylindol-3-ylidene)methyl]-5-(1-phenylethyl)-1,2-dihydropyrazol-3-one
SMILESCc1cccc2c1N=C/C2=C\c1c(C(C)c2ccccc2)[nH][nH]c1=O
InChIInChI=1S/C21H19N3O/c1-13-7-6-10-17-16(12-22-19(13)17)11-18-20(23-24-21(18)25)14(2)15-8-4-3-5-9-15/h3-12,14H,1-2H3,(H2,23,24,25)/b16-11+
InChIKeyQFDAKCWYLJUGGG-LFIBNONCSA-N
MW329.40 g/mol
LogP4.42
Rot. Bonds3

About 4-[(Z)-(7-methylindol-3-ylidene)methyl]-5-(1-phenylethyl)-1,2-dihydropyrazol-3-one

4-[(Z)-(7-methylindol-3-ylidene)methyl]-5-(1-phenylethyl)-1,2-dihydropyrazol-3-one (PubChem CID 22059542) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[(Z)-(7-methylindol-3-ylidene)methyl]-5-(1-phenylethyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(Z)-(7-methylindol-3-ylidene)methyl]-5-(1-phenylethyl)-1,2-dihydropyrazol-3-one
PubChem CID22059542
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name4-[(Z)-(7-methylindol-3-ylidene)methyl]-5-(1-phenylethyl)-1,2-dihydropyrazol-3-one
SMILESCc1cccc2c1N=C/C2=C\c1c(C(C)c2ccccc2)[nH][nH]c1=O
InChIInChI=1S/C21H19N3O/c1-13-7-6-10-17-16(12-22-19(13)17)11-18-20(23-24-21(18)25)14(2)15-8-4-3-5-9-15/h3-12,14H,1-2H3,(H2,23,24,25)/b16-11+
InChIKeyQFDAKCWYLJUGGG-LFIBNONCSA-N
XLogP4.42
TPSA61.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(Z)-(7-methylindol-3-ylidene)methyl]-5-(1-phenylethyl)-1,2-dihydropyrazol-3-one with MolForge

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Related Compounds

4-[(E)-indol-3-ylidenemethyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 22059924
4-[(Z)-indol-3-ylidenemethyl]-5-propan-2-yloxy-1,2-dihydropyrazol-3-one
CID 87939151
4-[(E)-indol-3-ylidenemethyl]-5-(phenoxymethyl)-1,2-dihydropyrazol-3-one
CID 22059829
4-(indol-3-ylidenemethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 723084
3-[4-[(E)-indol-3-ylidenemethyl]-5-oxo-1,2-dihydropyrazol-3-yl]-N,N-dimethylpropanamide
CID 22059445
5-[(Z)-(7-ethylindol-3-ylidene)methyl]-4-hydroxy-3-(2-methylphenyl)-1H-imidazole-2-thione
CID 135954939
4-(indol-3-ylidenemethyl)-3-methyl-2H-1,2-oxazol-5-one
CID 27868285
1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene
CID 3024109
6-hydroxy-5-(indol-3-ylidenemethyl)-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione
CID 1360329
5-[(4-chlorophenoxy)methyl]-4-[(E)-indol-3-ylidenemethyl]-1,2-dihydropyrazol-3-one
CID 22059565
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(7-methylindol-3-ylidene)methyl]-5-(1-phenylethyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(Z)-(7-methylindol-3-ylidene)methyl]-5-(1-phenylethyl)-1,2-dihydropyrazol-3-one (CID 22059542) is 4-[(Z)-(7-methylindol-3-ylidene)methyl]-5-(1-phenylethyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(Z)-(7-methylindol-3-ylidene)methyl]-5-(1-phenylethyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(Z)-(7-methylindol-3-ylidene)methyl]-5-(1-phenylethyl)-1,2-dihydropyrazol-3-one is Cc1cccc2c1N=C/C2=C\c1c(C(C)c2ccccc2)[nH][nH]c1=O.
What is the InChIKey of 4-[(Z)-(7-methylindol-3-ylidene)methyl]-5-(1-phenylethyl)-1,2-dihydropyrazol-3-one?
The InChIKey is QFDAKCWYLJUGGG-LFIBNONCSA-N. The full InChI is InChI=1S/C21H19N3O/c1-13-7-6-10-17-16(12-22-19(13)17)11-18-20(23-24-21(18)25)14(2)15-8-4-3-5-9-15/h3-12,14H,1-2H3,(H2,23,24,25)/b16-11+.
What are the key properties of 4-[(Z)-(7-methylindol-3-ylidene)methyl]-5-(1-phenylethyl)-1,2-dihydropyrazol-3-one?
4-[(Z)-(7-methylindol-3-ylidene)methyl]-5-(1-phenylethyl)-1,2-dihydropyrazol-3-one has a molecular weight of 329.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(7-methylindol-3-ylidene)methyl]-5-(1-phenylethyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 22059542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).