3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid

C14H13N3O3 — CID 136985713

IUPAC3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(-c2cc3c(O)cccc3n2C)cc1C(=O)O
InChIInChI=1S/C14H13N3O3/c1-16-10-4-3-5-13(18)8(10)6-11(16)9-7-12(14(19)20)17(2)15-9/h3-7,18H,1-2H3,(H,19,20)
InChIKeyYSYXIYVWBIODLI-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.98
Rot. Bonds2

About 3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid

3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 136985713) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
PubChem CID136985713
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(-c2cc3c(O)cccc3n2C)cc1C(=O)O
InChIInChI=1S/C14H13N3O3/c1-16-10-4-3-5-13(18)8(10)6-11(16)9-7-12(14(19)20)17(2)15-9/h3-7,18H,1-2H3,(H,19,20)
InChIKeyYSYXIYVWBIODLI-UHFFFAOYSA-N
XLogP1.98
TPSA80.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 115107842
1-methyl-3-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 13370519
3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine
CID 115107883
5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108105
3-(7-methoxy-1,2-dimethylindol-3-yl)-1-methylpyrazole-5-carboxylic acid
CID 115108555
4-amino-1-methylindole-2-carboxylic acid
CID 84771435
3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 82293487
3-(7-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid
CID 136986034
2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol
CID 137016984
(2S)-2-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propanoic acid
CID 110835775
1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 13370512
3-(7-hydroxy-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 115107688

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid (CID 136985713) is 3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid is Cn1nc(-c2cc3c(O)cccc3n2C)cc1C(=O)O.
What is the InChIKey of 3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is YSYXIYVWBIODLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-16-10-4-3-5-13(18)8(10)6-11(16)9-7-12(14(19)20)17(2)15-9/h3-7,18H,1-2H3,(H,19,20).
What are the key properties of 3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid?
3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 136985713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).