1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one

C13H20N2O2 — CID 103558858

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one
SMILESCOC1(CC(=O)Cc2cc(C)nn2C)CCC1
InChIInChI=1S/C13H20N2O2/c1-10-7-11(15(2)14-10)8-12(16)9-13(17-3)5-4-6-13/h7H,4-6,8-9H2,1-3H3
InChIKeyRIGHMHAFNDBLCO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.80
Rot. Bonds5

About 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one

1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one (PubChem CID 103558858) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one
PubChem CID103558858
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one
SMILESCOC1(CC(=O)Cc2cc(C)nn2C)CCC1
InChIInChI=1S/C13H20N2O2/c1-10-7-11(15(2)14-10)8-12(16)9-13(17-3)5-4-6-13/h7H,4-6,8-9H2,1-3H3
InChIKeyRIGHMHAFNDBLCO-UHFFFAOYSA-N
XLogP1.80
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone
CID 104610214
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750559
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone
CID 114978838
2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450683
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 114979014
1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558744
1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116607264
[1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-yl]hydrazine
CID 103560494
1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 103558759
1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063602
1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 79078418
1-(1-methoxycyclobutyl)-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103558995

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one (CID 103558858) is 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one is COC1(CC(=O)Cc2cc(C)nn2C)CCC1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one?
The InChIKey is RIGHMHAFNDBLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-7-11(15(2)14-10)8-12(16)9-13(17-3)5-4-6-13/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one?
1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one has a molecular weight of 236.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one is sourced from PubChem (CID 103558858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).