5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid

C13H11N3O3 — CID 136985793

IUPAC5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C13H11N3O3/c1-16-12(6-11(15-16)13(18)19)10-5-7-4-8(17)2-3-9(7)14-10/h2-6,14,17H,1H3,(H,18,19)
InChIKeyAAFQJWGWQMXFPO-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.97
Rot. Bonds2

About 5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid

5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 136985793) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid
PubChem CID136985793
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C13H11N3O3/c1-16-12(6-11(15-16)13(18)19)10-5-7-4-8(17)2-3-9(7)14-10/h2-6,14,17H,1H3,(H,18,19)
InChIKeyAAFQJWGWQMXFPO-UHFFFAOYSA-N
XLogP1.97
TPSA91.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid
CID 136985778
3-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985667
1-methyl-5-(4-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid
CID 136985802
1-methyl-5-(7-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid
CID 136985722
2-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol
CID 136985765
5-(4,5-difluoro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136942334
5-(1H-indazol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117357229
N-[2-(3,3-difluoroazetidin-1-yl)ethyl]-5-(5-fluoro-1H-indol-2-yl)-1-methylpyrazole-3-carboxamide
CID 135894380
1-methyl-5-(3-methyl-1H-indol-5-yl)pyrazole-3-carboxylic acid
CID 117390911
5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986451
5-(2-ethyl-3H-benzimidazol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 82501989
5-(3-hydroxy-4-methylsulfanylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117414983

Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid (CID 136985793) is 5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1-c1cc2cc(O)ccc2[nH]1.
What is the InChIKey of 5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is AAFQJWGWQMXFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-16-12(6-11(15-16)13(18)19)10-5-7-4-8(17)2-3-9(7)14-10/h2-6,14,17H,1H3,(H,18,19).
What are the key properties of 5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid?
5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 136985793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).