5-(5-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid

C13H11N3O3 — CID 136986478

IUPAC5-(5-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid
SMILESCOc1ccc2[nH]c(-c3[nH]ncc3C(=O)O)cc2c1
InChIInChI=1S/C13H11N3O3/c1-19-8-2-3-10-7(4-8)5-11(15-10)12-9(13(17)18)6-14-16-12/h2-6,15H,1H3,(H,14,16)(H,17,18)
InChIKeySLYUDPQEKXXLMS-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.26
Rot. Bonds3

About 5-(5-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid

5-(5-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid (PubChem CID 136986478) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-(5-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid
PubChem CID136986478
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name5-(5-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid
SMILESCOc1ccc2[nH]c(-c3[nH]ncc3C(=O)O)cc2c1
InChIInChI=1S/C13H11N3O3/c1-19-8-2-3-10-7(4-8)5-11(15-10)12-9(13(17)18)6-14-16-12/h2-6,15H,1H3,(H,14,16)(H,17,18)
InChIKeySLYUDPQEKXXLMS-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-(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-methoxy-2-(1H-pyrazol-5-yl)-1H-indole
CID 135496116
5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 115109119
5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole
CID 66573117
3-(5-methoxy-1H-indol-2-yl)propanoic acid
CID 18987712
N-[2-(5-methoxy-1H-indol-2-yl)phenyl]acetamide
CID 10731437
2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde
CID 141043717
2-(2-bromophenyl)-5-methoxy-1H-indole
CID 131887178
5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82295152
CID 171375610
CID 171375610
2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole
CID 162717905

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(5-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid (CID 136986478) is 5-(5-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(5-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid is COc1ccc2[nH]c(-c3[nH]ncc3C(=O)O)cc2c1.
What is the InChIKey of 5-(5-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is SLYUDPQEKXXLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-19-8-2-3-10-7(4-8)5-11(15-10)12-9(13(17)18)6-14-16-12/h2-6,15H,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-(5-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid?
5-(5-methoxy-1H-indol-2-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-2-yl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 136986478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).