5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid

C14H13N3O3 — CID 136986454

IUPAC5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1-c1cc2ccc(O)cc2n1C
InChIInChI=1S/C14H13N3O3/c1-16-11-6-9(18)4-3-8(11)5-12(16)13-10(14(19)20)7-15-17(13)2/h3-7,18H,1-2H3,(H,19,20)
InChIKeyQWKCYBNKHAMLRK-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.98
Rot. Bonds2

About 5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid

5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 136986454) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
PubChem CID136986454
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1-c1cc2ccc(O)cc2n1C
InChIInChI=1S/C14H13N3O3/c1-16-11-6-9(18)4-3-8(11)5-12(16)13-10(14(19)20)7-15-17(13)2/h3-7,18H,1-2H3,(H,19,20)
InChIKeyQWKCYBNKHAMLRK-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

5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 115109340
2-(6-hydroxy-1-methylindol-2-yl)pyridine-4-carboxylic acid
CID 136986657
5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986451
1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
CID 130678199
5-(6-chloro-1-methylindol-2-yl)-1,2-oxazole-4-carboxylic acid
CID 115109327
1-methyl-5-(6-methyl-1-benzofuran-2-yl)pyrazole-4-carboxylic acid
CID 115109556
1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid
CID 82294230
5-(3,5-difluorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 154381214
1-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxylic acid
CID 131070981
1-methyl-5-(1-methylimidazol-4-yl)pyrazole-4-carboxylic acid
CID 127019917
1-methyl-5-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid
CID 167964096
5-(furan-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 130711914

Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid (CID 136986454) is 5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1-c1cc2ccc(O)cc2n1C.
What is the InChIKey of 5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is QWKCYBNKHAMLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-16-11-6-9(18)4-3-8(11)5-12(16)13-10(14(19)20)7-15-17(13)2/h3-7,18H,1-2H3,(H,19,20).
What are the key properties of 5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid?
5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-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 5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 136986454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).