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

C14H13N3O3 — CID 115108344

IUPAC5-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1cn(C)c2cccc(O)c12
InChIInChI=1S/C14H13N3O3/c1-16-7-8(13-10(16)4-3-5-12(13)18)11-6-9(14(19)20)15-17(11)2/h3-7,18H,1-2H3,(H,19,20)
InChIKeyDCGGROWVQPQKPN-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.98
Rot. Bonds2

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

5-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 115108344) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
PubChem CID115108344
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name5-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1cn(C)c2cccc(O)c12
InChIInChI=1S/C14H13N3O3/c1-16-7-8(13-10(16)4-3-5-12(13)18)11-6-9(14(19)20)15-17(11)2/h3-7,18H,1-2H3,(H,19,20)
InChIKeyDCGGROWVQPQKPN-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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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid (CID 115108344) is 5-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1-c1cn(C)c2cccc(O)c12.
What is the InChIKey of 5-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is DCGGROWVQPQKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-16-7-8(13-10(16)4-3-5-12(13)18)11-6-9(14(19)20)15-17(11)2/h3-7,18H,1-2H3,(H,19,20).
What are the key properties of 5-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid?
5-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-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-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 115108344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).