2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone

C11H16N2O2 — CID 103558819

IUPAC2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone
SMILESCOC1(CC(=O)c2ccnn2C)CCC1
InChIInChI=1S/C11H16N2O2/c1-13-9(4-7-12-13)10(14)8-11(15-2)5-3-6-11/h4,7H,3,5-6,8H2,1-2H3
InChIKeyZNSDSPQBGOCFLV-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.56
Rot. Bonds4

About 2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone

2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone (PubChem CID 103558819) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone
PubChem CID103558819
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone
SMILESCOC1(CC(=O)c2ccnn2C)CCC1
InChIInChI=1S/C11H16N2O2/c1-13-9(4-7-12-13)10(14)8-11(15-2)5-3-6-11/h4,7H,3,5-6,8H2,1-2H3
InChIKeyZNSDSPQBGOCFLV-UHFFFAOYSA-N
XLogP1.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxycyclobutyl)-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103558995
1-(2-methylpyrazol-3-yl)-2-propoxyethanone
CID 63961167
3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 115345752
4-(2-methylpyrazol-3-yl)-4-oxobutanoic acid
CID 82407999
methyl 4-(2-methylpyrazol-3-yl)-2,4-dioxobutanoate
CID 25248220
1-(5-bromo-3-methyltriazol-4-yl)-2-(1-methoxycyclobutyl)ethanone
CID 106464364
4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 58394964
3-methoxy-3-methyl-1-(2-methylpyrazol-3-yl)butan-1-one
CID 103023243
1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555872
(1-hydroxycyclopentyl)-(2-methylpyrazol-3-yl)methanone
CID 103447816
1-(2-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103558764
2-(azepan-2-yl)-1-(2-methylpyrazol-3-yl)ethanone
CID 106758315

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone (CID 103558819) is 2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone is COC1(CC(=O)c2ccnn2C)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone?
The InChIKey is ZNSDSPQBGOCFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-9(4-7-12-13)10(14)8-11(15-2)5-3-6-11/h4,7H,3,5-6,8H2,1-2H3.
What are the key properties of 2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone?
2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone has a molecular weight of 208.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 103558819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).