5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid

C15H15N3O3 — CID 115109119

IUPAC5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESCOc1ccc2c(c1)c(-c1[nH]ncc1C(=O)O)c(C)n2C
InChIInChI=1S/C15H15N3O3/c1-8-13(14-11(15(19)20)7-16-17-14)10-6-9(21-3)4-5-12(10)18(8)2/h4-7H,1-3H3,(H,16,17)(H,19,20)
InChIKeyOWQOVAFCQBWJRE-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.58
Rot. Bonds3

About 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid

5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid (PubChem CID 115109119) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
PubChem CID115109119
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESCOc1ccc2c(c1)c(-c1[nH]ncc1C(=O)O)c(C)n2C
InChIInChI=1S/C15H15N3O3/c1-8-13(14-11(15(19)20)7-16-17-14)10-6-9(21-3)4-5-12(10)18(8)2/h4-7H,1-3H3,(H,16,17)(H,19,20)
InChIKeyOWQOVAFCQBWJRE-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-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 82299165
5-(6-chloro-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 115108943
5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986326
5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
CID 84742295
3-(6-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 115108598
5-(5-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid
CID 136986478
6-(5-methoxy-1,2-dimethylindol-3-yl)pyridin-3-amine
CID 115110619
4-(5-methoxy-1,2-dimethylindol-3-yl)butanoic acid
CID 82500817
3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid
CID 83853725
2-(3,6-dimethoxycarbazol-9-yl)benzene-1,3-dicarboxylic acid
CID 175202361
ethane;5-methoxy-1,2,3-trimethylindole
CID 143529502
5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82295152

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid (CID 115109119) is 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid is COc1ccc2c(c1)c(-c1[nH]ncc1C(=O)O)c(C)n2C.
What is the InChIKey of 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is OWQOVAFCQBWJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-8-13(14-11(15(19)20)7-16-17-14)10-6-9(21-3)4-5-12(10)18(8)2/h4-7H,1-3H3,(H,16,17)(H,19,20).
What are the key properties of 5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-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-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 115109119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).