3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid

C15H15N3O3 — CID 115107842

IUPAC3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCOc1ccc2c(c1)cc(-c1cc(C(=O)O)n(C)n1)n2C
InChIInChI=1S/C15H15N3O3/c1-17-12-5-4-10(21-3)6-9(12)7-13(17)11-8-14(15(19)20)18(2)16-11/h4-8H,1-3H3,(H,19,20)
InChIKeyHRMCEEKFGTTZEL-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.29
Rot. Bonds3

About 3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid

3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 115107842) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
PubChem CID115107842
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCOc1ccc2c(c1)cc(-c1cc(C(=O)O)n(C)n1)n2C
InChIInChI=1S/C15H15N3O3/c1-17-12-5-4-10(21-3)6-9(12)7-13(17)11-8-14(15(19)20)18(2)16-11/h4-8H,1-3H3,(H,19,20)
InChIKeyHRMCEEKFGTTZEL-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-(5-methoxy-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
CID 115110214
5-(5-methoxy-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid
CID 115109391
3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985713
3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine
CID 115107760
3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42759669
5-methoxy-1-methylindazole-3-carboxylic acid
CID 45141403
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid
CID 115108015
3-(3-chloro-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 82304555
2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 72891753
2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid
CID 82334255
(9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95119899

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid (CID 115107842) is 3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid is COc1ccc2c(c1)cc(-c1cc(C(=O)O)n(C)n1)n2C.
What is the InChIKey of 3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is HRMCEEKFGTTZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-17-12-5-4-10(21-3)6-9(12)7-13(17)11-8-14(15(19)20)18(2)16-11/h4-8H,1-3H3,(H,19,20).
What are the key properties of 3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid?
3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-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 3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 115107842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).