1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one

C12H18N2O2 — CID 103558759

IUPAC1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one
SMILESCOC1(CC(=O)Cc2cnn(C)c2)CCC1
InChIInChI=1S/C12H18N2O2/c1-14-9-10(8-13-14)6-11(15)7-12(16-2)4-3-5-12/h8-9H,3-7H2,1-2H3
InChIKeyTVPONIXSXKBSBN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.49
Rot. Bonds5

About 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one

1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one (PubChem CID 103558759) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one
PubChem CID103558759
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one
SMILESCOC1(CC(=O)Cc2cnn(C)c2)CCC1
InChIInChI=1S/C12H18N2O2/c1-14-9-10(8-13-14)6-11(15)7-12(16-2)4-3-5-12/h8-9H,3-7H2,1-2H3
InChIKeyTVPONIXSXKBSBN-UHFFFAOYSA-N
XLogP1.49
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558744
1-(1-aminocyclohexyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116550574
1-(cyclopropylmethylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 116557707
1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558858
1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063602
2-(1-methoxycyclobutyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 103558819
1-ethylsulfanyl-3-(1-methylpyrazol-4-yl)propan-2-one
CID 65130546
1-(1-methoxycyclobutyl)-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103558995
4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116555966
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
1-(tert-butylamino)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 116588939
1-(1-ethylimidazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558888

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one?
The IUPAC name of 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one (CID 103558759) is 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one?
The canonical SMILES for 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one is COC1(CC(=O)Cc2cnn(C)c2)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one?
The InChIKey is TVPONIXSXKBSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-9-10(8-13-14)6-11(15)7-12(16-2)4-3-5-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one?
1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one has a molecular weight of 222.29 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)propan-2-one is sourced from PubChem (CID 103558759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).