5-methoxy-1,3-dimethylpyrazole-4-carboxylic acid

C7H10N2O3 — CID 23361779

IUPAC5-methoxy-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCOc1c(C(=O)O)c(C)nn1C
InChIInChI=1S/C7H10N2O3/c1-4-5(7(10)11)6(12-3)9(2)8-4/h1-3H3,(H,10,11)
InChIKeyGUZMIQWLRGBSCK-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.44
Rot. Bonds2

About 5-methoxy-1,3-dimethylpyrazole-4-carboxylic acid

5-methoxy-1,3-dimethylpyrazole-4-carboxylic acid (PubChem CID 23361779) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 5-methoxy-1,3-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1,3-dimethylpyrazole-4-carboxylic acid
PubChem CID23361779
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name5-methoxy-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCOc1c(C(=O)O)c(C)nn1C
InChIInChI=1S/C7H10N2O3/c1-4-5(7(10)11)6(12-3)9(2)8-4/h1-3H3,(H,10,11)
InChIKeyGUZMIQWLRGBSCK-UHFFFAOYSA-N
XLogP0.44
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,3-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 5-methoxy-1,3-dimethylpyrazole-4-carboxylic acid (CID 23361779) is 5-methoxy-1,3-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methoxy-1,3-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-methoxy-1,3-dimethylpyrazole-4-carboxylic acid is COc1c(C(=O)O)c(C)nn1C.
What is the InChIKey of 5-methoxy-1,3-dimethylpyrazole-4-carboxylic acid?
The InChIKey is GUZMIQWLRGBSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4-5(7(10)11)6(12-3)9(2)8-4/h1-3H3,(H,10,11).
What are the key properties of 5-methoxy-1,3-dimethylpyrazole-4-carboxylic acid?
5-methoxy-1,3-dimethylpyrazole-4-carboxylic acid has a molecular weight of 170.17 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 23361779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).