5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid

C15H15N3O3 — CID 136986331

IUPAC5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid
SMILESCOc1ccc2[nH]c(C)c(-c3c(C(=O)O)cnn3C)c2c1
InChIInChI=1S/C15H15N3O3/c1-8-13(14-11(15(19)20)7-16-18(14)2)10-6-9(21-3)4-5-12(10)17-8/h4-7,17H,1-3H3,(H,19,20)
InChIKeySNJDEORGOZTUQB-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.58
Rot. Bonds3

About 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid

5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 136986331) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid
PubChem CID136986331
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid
SMILESCOc1ccc2[nH]c(C)c(-c3c(C(=O)O)cnn3C)c2c1
InChIInChI=1S/C15H15N3O3/c1-8-13(14-11(15(19)20)7-16-18(14)2)10-6-9(21-3)4-5-12(10)17-8/h4-7,17H,1-3H3,(H,19,20)
InChIKeySNJDEORGOZTUQB-UHFFFAOYSA-N
XLogP2.58
TPSA80.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986309
5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazol-4-amine
CID 136986323
5-(5-methoxy-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986316
5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 82302598
5-methoxy-2-methyl-3-phenyl-1H-indole
CID 11564934
1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid
CID 82294230
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
2-(5-methoxy-2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 175479256
2-(1,5-dimethylpyrazol-4-yl)-5-methoxybenzoic acid
CID 66098475
5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid
CID 82301586
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 6919949

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid (CID 136986331) is 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid is COc1ccc2[nH]c(C)c(-c3c(C(=O)O)cnn3C)c2c1.
What is the InChIKey of 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is SNJDEORGOZTUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-8-13(14-11(15(19)20)7-16-18(14)2)10-6-9(21-3)4-5-12(10)17-8/h4-7,17H,1-3H3,(H,19,20).
What are the key properties of 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid?
5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 136986331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).