5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid

C13H11N3O3 — CID 136986326

IUPAC5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESCOc1ccc2[nH]cc(-c3[nH]ncc3C(=O)O)c2c1
InChIInChI=1S/C13H11N3O3/c1-19-7-2-3-11-8(4-7)9(5-14-11)12-10(13(17)18)6-15-16-12/h2-6,14H,1H3,(H,15,16)(H,17,18)
InChIKeyNOZGEPABVOMYGY-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.26
Rot. Bonds3

About 5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid

5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid (PubChem CID 136986326) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
PubChem CID136986326
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESCOc1ccc2[nH]cc(-c3[nH]ncc3C(=O)O)c2c1
InChIInChI=1S/C13H11N3O3/c1-19-7-2-3-11-8(4-7)9(5-14-11)12-10(13(17)18)6-15-16-12/h2-6,14H,1H3,(H,15,16)(H,17,18)
InChIKeyNOZGEPABVOMYGY-UHFFFAOYSA-N
XLogP2.26
TPSA91.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986210
5-(5-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid
CID 136986478
5-(7-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986188
5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 115109119
5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82295152
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole
CID 70291499
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
5-(4-methylsulfonylphenoxy)-1H-indole-3-carboxylic acid
CID 142778079

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid (CID 136986326) is 5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid is COc1ccc2[nH]cc(-c3[nH]ncc3C(=O)O)c2c1.
What is the InChIKey of 5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is NOZGEPABVOMYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-19-7-2-3-11-8(4-7)9(5-14-11)12-10(13(17)18)6-15-16-12/h2-6,14H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid?
5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 136986326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).