4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid

C11H11N3O3 — CID 90383237

IUPAC4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid
SMILESCOc1cccc(-c2cnn(C)c2C(=O)O)n1
InChIInChI=1S/C11H11N3O3/c1-14-10(11(15)16)7(6-12-14)8-4-3-5-9(13-8)17-2/h3-6H,1-2H3,(H,15,16)
InChIKeyURCBPOOVJGULCW-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.19
Rot. Bonds3

About 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid

4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 90383237) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid
PubChem CID90383237
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid
SMILESCOc1cccc(-c2cnn(C)c2C(=O)O)n1
InChIInChI=1S/C11H11N3O3/c1-14-10(11(15)16)7(6-12-14)8-4-3-5-9(13-8)17-2/h3-6H,1-2H3,(H,15,16)
InChIKeyURCBPOOVJGULCW-UHFFFAOYSA-N
XLogP1.19
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid (CID 90383237) is 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid is COc1cccc(-c2cnn(C)c2C(=O)O)n1.
What is the InChIKey of 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is URCBPOOVJGULCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-14-10(11(15)16)7(6-12-14)8-4-3-5-9(13-8)17-2/h3-6H,1-2H3,(H,15,16).
What are the key properties of 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid?
4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 90383237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).