5-methoxy-1,3-dimethylpyrazole

C6H10N2O — CID 581065

IUPAC5-methoxy-1,3-dimethylpyrazole
SMILESCOc1cc(C)nn1C
InChIInChI=1S/C6H10N2O/c1-5-4-6(9-3)8(2)7-5/h4H,1-3H3
InChIKeyQGVNQBGVRVIBMA-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.74
Rot. Bonds1

About 5-methoxy-1,3-dimethylpyrazole

5-methoxy-1,3-dimethylpyrazole (PubChem CID 581065) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-methoxy-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-methoxy-1,3-dimethylpyrazole
PubChem CID581065
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name5-methoxy-1,3-dimethylpyrazole
SMILESCOc1cc(C)nn1C
InChIInChI=1S/C6H10N2O/c1-5-4-6(9-3)8(2)7-5/h4H,1-3H3
InChIKeyQGVNQBGVRVIBMA-UHFFFAOYSA-N
XLogP0.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,3-dimethylpyrazole?
The IUPAC name of 5-methoxy-1,3-dimethylpyrazole (CID 581065) is 5-methoxy-1,3-dimethylpyrazole.
What is the SMILES notation for 5-methoxy-1,3-dimethylpyrazole?
The canonical SMILES for 5-methoxy-1,3-dimethylpyrazole is COc1cc(C)nn1C.
What is the InChIKey of 5-methoxy-1,3-dimethylpyrazole?
The InChIKey is QGVNQBGVRVIBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5-4-6(9-3)8(2)7-5/h4H,1-3H3.
What are the key properties of 5-methoxy-1,3-dimethylpyrazole?
5-methoxy-1,3-dimethylpyrazole has a molecular weight of 126.16 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-dimethylpyrazole is sourced from PubChem (CID 581065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).