3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid

C13H11N3O3 — CID 115107688

IUPAC3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid
SMILESCn1c(-c2cc(C(=O)O)[nH]n2)cc2cccc(O)c21
InChIInChI=1S/C13H11N3O3/c1-16-10(8-6-9(13(18)19)15-14-8)5-7-3-2-4-11(17)12(7)16/h2-6,17H,1H3,(H,14,15)(H,18,19)
InChIKeyZGSGJKZSPMXWQM-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.97
Rot. Bonds2

About 3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid

3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 115107688) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID115107688
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid
SMILESCn1c(-c2cc(C(=O)O)[nH]n2)cc2cccc(O)c21
InChIInChI=1S/C13H11N3O3/c1-16-10(8-6-9(13(18)19)15-14-8)5-7-3-2-4-11(17)12(7)16/h2-6,17H,1H3,(H,14,15)(H,18,19)
InChIKeyZGSGJKZSPMXWQM-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

3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 115107817
ethane;3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 143757787
3-(7-fluoro-1,2-dimethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 115108534
5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
CID 115110113
3-(1H-indol-7-yl)-1H-pyrazole-5-carboxylic acid
CID 117326348
3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 115108158
3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117310670
3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid;ethane
CID 143798874
3-(2-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83395825
5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115107937
3-(6-hydroxy-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 136997983
3-(2-ethoxynaphthalen-1-yl)-1H-pyrazole-5-carboxylic acid
CID 5135950

Frequently Asked Questions

What is the IUPAC name of 3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid (CID 115107688) is 3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid is Cn1c(-c2cc(C(=O)O)[nH]n2)cc2cccc(O)c21.
What is the InChIKey of 3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is ZGSGJKZSPMXWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-16-10(8-6-9(13(18)19)15-14-8)5-7-3-2-4-11(17)12(7)16/h2-6,17H,1H3,(H,14,15)(H,18,19).
What are the key properties of 3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid?
3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-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 3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 115107688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).