[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate

C25H25N3O3 — CID 8629454

IUPAC[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
SMILESCCc1cccc2c(C(=O)COC(=O)Cc3c(C)nn(-c4ccccc4)c3C)c[nH]c12
InChIInChI=1S/C25H25N3O3/c1-4-18-9-8-12-20-22(14-26-25(18)20)23(29)15-31-24(30)13-21-16(2)27-28(17(21)3)19-10-6-5-7-11-19/h5-12,14,26H,4,13,15H2,1-3H3
InChIKeyARYKMYJDWVBENQ-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.50
Rot. Bonds7

About [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate (PubChem CID 8629454) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate.

Molecular Properties

Compound Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
PubChem CID8629454
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
SMILESCCc1cccc2c(C(=O)COC(=O)Cc3c(C)nn(-c4ccccc4)c3C)c[nH]c12
InChIInChI=1S/C25H25N3O3/c1-4-18-9-8-12-20-22(14-26-25(18)20)23(29)15-31-24(30)13-21-16(2)27-28(17(21)3)19-10-6-5-7-11-19/h5-12,14,26H,4,13,15H2,1-3H3
InChIKeyARYKMYJDWVBENQ-UHFFFAOYSA-N
XLogP4.50
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethylphenyl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8629128
[2-oxo-2-(propylamino)ethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8629414
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8629779
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate
CID 7185937
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8629037
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7235331
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 27805798
[2-(azepan-1-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8628662
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 7856439
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate
CID 7765173
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 166376107
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 18286411

Frequently Asked Questions

What is the IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate?
The IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate (CID 8629454) is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate.
What is the SMILES notation for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate?
The canonical SMILES for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate is CCc1cccc2c(C(=O)COC(=O)Cc3c(C)nn(-c4ccccc4)c3C)c[nH]c12.
What is the InChIKey of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate?
The InChIKey is ARYKMYJDWVBENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-4-18-9-8-12-20-22(14-26-25(18)20)23(29)15-31-24(30)13-21-16(2)27-28(17(21)3)19-10-6-5-7-11-19/h5-12,14,26H,4,13,15H2,1-3H3.
What are the key properties of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate?
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate has a molecular weight of 415.49 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate is sourced from PubChem (CID 8629454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).