5-(7-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid

C13H11N3O3 — CID 136986188

IUPAC5-(7-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESCOc1cccc2c(-c3[nH]ncc3C(=O)O)c[nH]c12
InChIInChI=1S/C13H11N3O3/c1-19-10-4-2-3-7-8(5-14-12(7)10)11-9(13(17)18)6-15-16-11/h2-6,14H,1H3,(H,15,16)(H,17,18)
InChIKeyDRAUZBLVWFKPGS-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.26
Rot. Bonds3

About 5-(7-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid

5-(7-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid (PubChem CID 136986188) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-(7-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(7-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
PubChem CID136986188
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name5-(7-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESCOc1cccc2c(-c3[nH]ncc3C(=O)O)c[nH]c12
InChIInChI=1S/C13H11N3O3/c1-19-10-4-2-3-7-8(5-14-12(7)10)11-9(13(17)18)6-15-16-11/h2-6,14H,1H3,(H,15,16)(H,17,18)
InChIKeyDRAUZBLVWFKPGS-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-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82295152
5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986326
5-(4-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid
CID 136986503
5-(7-methoxy-1H-indol-3-yl)-1-methylpyrrole-2-carboxylic acid
CID 115110289
5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986210
5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid
CID 84684368
5-(2,3-difluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 83810701
3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one
CID 10333492
2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane
CID 145142398
5-(2-bromophenyl)-1H-pyrazole-4-carboxylic acid
CID 22831680
2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline
CID 118449001
1-(7-methoxy-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 96675265

Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(7-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid (CID 136986188) is 5-(7-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(7-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(7-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid is COc1cccc2c(-c3[nH]ncc3C(=O)O)c[nH]c12.
What is the InChIKey of 5-(7-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is DRAUZBLVWFKPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-19-10-4-2-3-7-8(5-14-12(7)10)11-9(13(17)18)6-15-16-11/h2-6,14H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-(7-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid?
5-(7-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-(7-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 136986188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).