3-methoxy-1-methylpyrazole

C5H8N2O — CID 18622370

IUPAC3-methoxy-1-methylpyrazole
SMILESCOc1ccn(C)n1
InChIInChI=1S/C5H8N2O/c1-7-4-3-5(6-7)8-2/h3-4H,1-2H3
InChIKeyNSLWGDABVLNWBH-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.43
Rot. Bonds1

About 3-methoxy-1-methylpyrazole

3-methoxy-1-methylpyrazole (PubChem CID 18622370) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 3-methoxy-1-methylpyrazole.

Molecular Properties

Compound Name3-methoxy-1-methylpyrazole
PubChem CID18622370
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name3-methoxy-1-methylpyrazole
SMILESCOc1ccn(C)n1
InChIInChI=1S/C5H8N2O/c1-7-4-3-5(6-7)8-2/h3-4H,1-2H3
InChIKeyNSLWGDABVLNWBH-UHFFFAOYSA-N
XLogP0.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methylpyrazole?
The IUPAC name of 3-methoxy-1-methylpyrazole (CID 18622370) is 3-methoxy-1-methylpyrazole.
What is the SMILES notation for 3-methoxy-1-methylpyrazole?
The canonical SMILES for 3-methoxy-1-methylpyrazole is COc1ccn(C)n1.
What is the InChIKey of 3-methoxy-1-methylpyrazole?
The InChIKey is NSLWGDABVLNWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-7-4-3-5(6-7)8-2/h3-4H,1-2H3.
What are the key properties of 3-methoxy-1-methylpyrazole?
3-methoxy-1-methylpyrazole has a molecular weight of 112.13 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methylpyrazole is sourced from PubChem (CID 18622370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).