2-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)cyclobutan-1-one

C12H18N2O — CID 81415098

IUPAC2-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)cyclobutan-1-one
SMILESCCC1C(=O)CC1c1c(C)nn(C)c1C
InChIInChI=1S/C12H18N2O/c1-5-9-10(6-11(9)15)12-7(2)13-14(4)8(12)3/h9-10H,5-6H2,1-4H3
InChIKeyUTUYRYBMDWHTMT-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.12
Rot. Bonds2

About 2-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)cyclobutan-1-one

2-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)cyclobutan-1-one (PubChem CID 81415098) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)cyclobutan-1-one.

Molecular Properties

Compound Name2-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)cyclobutan-1-one
PubChem CID81415098
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)cyclobutan-1-one
SMILESCCC1C(=O)CC1c1c(C)nn(C)c1C
InChIInChI=1S/C12H18N2O/c1-5-9-10(6-11(9)15)12-7(2)13-14(4)8(12)3/h9-10H,5-6H2,1-4H3
InChIKeyUTUYRYBMDWHTMT-UHFFFAOYSA-N
XLogP2.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)cyclobutan-1-one?
The IUPAC name of 2-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)cyclobutan-1-one (CID 81415098) is 2-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)cyclobutan-1-one.
What is the SMILES notation for 2-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)cyclobutan-1-one?
The canonical SMILES for 2-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)cyclobutan-1-one is CCC1C(=O)CC1c1c(C)nn(C)c1C.
What is the InChIKey of 2-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)cyclobutan-1-one?
The InChIKey is UTUYRYBMDWHTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-5-9-10(6-11(9)15)12-7(2)13-14(4)8(12)3/h9-10H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)cyclobutan-1-one?
2-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)cyclobutan-1-one has a molecular weight of 206.29 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)cyclobutan-1-one is sourced from PubChem (CID 81415098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).