3-(cyclobutylmethoxy)-1-methylpyrazole

C9H14N2O — CID 121263523

IUPAC3-(cyclobutylmethoxy)-1-methylpyrazole
SMILESCn1ccc(OCC2CCC2)n1
InChIInChI=1S/C9H14N2O/c1-11-6-5-9(10-11)12-7-8-3-2-4-8/h5-6,8H,2-4,7H2,1H3
InChIKeyMGTYQXAUOSJUTG-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.60
Rot. Bonds3

About 3-(cyclobutylmethoxy)-1-methylpyrazole

3-(cyclobutylmethoxy)-1-methylpyrazole (PubChem CID 121263523) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-(cyclobutylmethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name3-(cyclobutylmethoxy)-1-methylpyrazole
PubChem CID121263523
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-(cyclobutylmethoxy)-1-methylpyrazole
SMILESCn1ccc(OCC2CCC2)n1
InChIInChI=1S/C9H14N2O/c1-11-6-5-9(10-11)12-7-8-3-2-4-8/h5-6,8H,2-4,7H2,1H3
InChIKeyMGTYQXAUOSJUTG-UHFFFAOYSA-N
XLogP1.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethoxy)-1-methylpyrazole?
The IUPAC name of 3-(cyclobutylmethoxy)-1-methylpyrazole (CID 121263523) is 3-(cyclobutylmethoxy)-1-methylpyrazole.
What is the SMILES notation for 3-(cyclobutylmethoxy)-1-methylpyrazole?
The canonical SMILES for 3-(cyclobutylmethoxy)-1-methylpyrazole is Cn1ccc(OCC2CCC2)n1.
What is the InChIKey of 3-(cyclobutylmethoxy)-1-methylpyrazole?
The InChIKey is MGTYQXAUOSJUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11-6-5-9(10-11)12-7-8-3-2-4-8/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 3-(cyclobutylmethoxy)-1-methylpyrazole?
3-(cyclobutylmethoxy)-1-methylpyrazole has a molecular weight of 166.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethoxy)-1-methylpyrazole is sourced from PubChem (CID 121263523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).