5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid

C15H15N3O3 — CID 115108277

IUPAC5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCOc1ccc2c(c1)c(-c1cc(C(=O)O)nn1C)cn2C
InChIInChI=1S/C15H15N3O3/c1-17-8-11(10-6-9(21-3)4-5-13(10)17)14-7-12(15(19)20)16-18(14)2/h4-8H,1-3H3,(H,19,20)
InChIKeyVEXYYVFPGGAIMZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.29
Rot. Bonds3

About 5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid

5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 115108277) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
PubChem CID115108277
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCOc1ccc2c(c1)c(-c1cc(C(=O)O)nn1C)cn2C
InChIInChI=1S/C15H15N3O3/c1-17-8-11(10-6-9(21-3)4-5-13(10)17)14-7-12(15(19)20)16-18(14)2/h4-8H,1-3H3,(H,19,20)
InChIKeyVEXYYVFPGGAIMZ-UHFFFAOYSA-N
XLogP2.29
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxy-1-methylindol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459375
5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136998006
5-(2-chloro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 82304558
5-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108344
5-(2,5-dimethoxy-3-methylsulfanylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117493301
5-(2-hydroxy-3,4-dimethoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136932005
5-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108157
5-(2-methoxy-3-methylsulfonylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117495273
5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108326
5-methoxy-1-methylindazole-3-carboxylic acid
CID 45141403
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117469018
5-(7-methoxy-1-methylindol-4-yl)-1-methylpyrazole-3-carboxylic acid
CID 117459377

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid (CID 115108277) is 5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid is COc1ccc2c(c1)c(-c1cc(C(=O)O)nn1C)cn2C.
What is the InChIKey of 5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is VEXYYVFPGGAIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-17-8-11(10-6-9(21-3)4-5-13(10)17)14-7-12(15(19)20)16-18(14)2/h4-8H,1-3H3,(H,19,20).
What are the key properties of 5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid?
5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 115108277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).