3-methoxy-1-methylpyrazole-4-carboxylic acid

C6H8N2O3 — CID 14329435

IUPAC3-methoxy-1-methylpyrazole-4-carboxylic acid
SMILESCOc1nn(C)cc1C(=O)O
InChIInChI=1S/C6H8N2O3/c1-8-3-4(6(9)10)5(7-8)11-2/h3H,1-2H3,(H,9,10)
InChIKeyVABYAAYEPSRUOM-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.13
Rot. Bonds2

About 3-methoxy-1-methylpyrazole-4-carboxylic acid

3-methoxy-1-methylpyrazole-4-carboxylic acid (PubChem CID 14329435) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 3-methoxy-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-1-methylpyrazole-4-carboxylic acid
PubChem CID14329435
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name3-methoxy-1-methylpyrazole-4-carboxylic acid
SMILESCOc1nn(C)cc1C(=O)O
InChIInChI=1S/C6H8N2O3/c1-8-3-4(6(9)10)5(7-8)11-2/h3H,1-2H3,(H,9,10)
InChIKeyVABYAAYEPSRUOM-UHFFFAOYSA-N
XLogP0.13
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-methoxy-1-methylpyrazole-4-carboxylic acid (CID 14329435) is 3-methoxy-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-methoxy-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-methoxy-1-methylpyrazole-4-carboxylic acid is COc1nn(C)cc1C(=O)O.
What is the InChIKey of 3-methoxy-1-methylpyrazole-4-carboxylic acid?
The InChIKey is VABYAAYEPSRUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-8-3-4(6(9)10)5(7-8)11-2/h3H,1-2H3,(H,9,10).
What are the key properties of 3-methoxy-1-methylpyrazole-4-carboxylic acid?
3-methoxy-1-methylpyrazole-4-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 14329435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).