3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one

C8H10N2O2 — CID 116794278

IUPAC3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one
SMILESCn1cc(OC2CC(=O)C2)cn1
InChIInChI=1S/C8H10N2O2/c1-10-5-8(4-9-10)12-7-2-6(11)3-7/h4-5,7H,2-3H2,1H3
InChIKeyXJSBZYUBHXSAMR-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.53
Rot. Bonds2

About 3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one

3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one (PubChem CID 116794278) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one
PubChem CID116794278
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one
SMILESCn1cc(OC2CC(=O)C2)cn1
InChIInChI=1S/C8H10N2O2/c1-10-5-8(4-9-10)12-7-2-6(11)3-7/h4-5,7H,2-3H2,1H3
InChIKeyXJSBZYUBHXSAMR-UHFFFAOYSA-N
XLogP0.53
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one?
The IUPAC name of 3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one (CID 116794278) is 3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one is Cn1cc(OC2CC(=O)C2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one?
The InChIKey is XJSBZYUBHXSAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10-5-8(4-9-10)12-7-2-6(11)3-7/h4-5,7H,2-3H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one?
3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one has a molecular weight of 166.18 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)oxycyclobutan-1-one is sourced from PubChem (CID 116794278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).