1-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxylic acid

C16H17N3O3 — CID 169084484

IUPAC1-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxylic acid
SMILESCCn1cc(-n2c(C)c(C(=O)O)c3cc(OC)ccc32)cn1
InChIInChI=1S/C16H17N3O3/c1-4-18-9-11(8-17-18)19-10(2)15(16(20)21)13-7-12(22-3)5-6-14(13)19/h5-9H,4H2,1-3H3,(H,20,21)
InChIKeyFHWNWQLTQNYXLQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.86
Rot. Bonds4

About 1-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxylic acid

1-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxylic acid (PubChem CID 169084484) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxylic acid
PubChem CID169084484
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxylic acid
SMILESCCn1cc(-n2c(C)c(C(=O)O)c3cc(OC)ccc32)cn1
InChIInChI=1S/C16H17N3O3/c1-4-18-9-11(8-17-18)19-10(2)15(16(20)21)13-7-12(22-3)5-6-14(13)19/h5-9H,4H2,1-3H3,(H,20,21)
InChIKeyFHWNWQLTQNYXLQ-UHFFFAOYSA-N
XLogP2.86
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide
CID 112820627
1-(4-methoxyphenyl)-2-methylindole-3-carboxylic acid
CID 172684717
[1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone
CID 23611477
ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate
CID 2076757
[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] acetate
CID 711025
2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 62126311
ethyl 5-methoxy-2-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxylate
CID 56690107
diethyl-[3-[5-methoxy-2-methyl-1-(3-methylphenyl)indole-3-carbonyl]oxypropyl]azanium
CID 7304711
1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]sulfanylethanone
CID 3429472
1-(2-methyl-1-phenyl-5-propoxyindol-3-yl)ethanone
CID 46891660
6-chloro-2-ethyl-5-methoxy-1-(1-propylpyrazol-4-yl)indole-3-carboxylic acid
CID 169084475
2-(2-ethoxy-2-oxoethyl)-5-hydroxy-1-(4-methoxyphenyl)indole-3-carboxylic acid
CID 67021214

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxylic acid?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxylic acid (CID 169084484) is 1-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxylic acid.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxylic acid?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxylic acid is CCn1cc(-n2c(C)c(C(=O)O)c3cc(OC)ccc32)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxylic acid?
The InChIKey is FHWNWQLTQNYXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-4-18-9-11(8-17-18)19-10(2)15(16(20)21)13-7-12(22-3)5-6-14(13)19/h5-9H,4H2,1-3H3,(H,20,21).
What are the key properties of 1-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxylic acid?
1-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxylic acid is sourced from PubChem (CID 169084484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).