1-cyclobutyl-4-methylpyrazole;ethane;methanol

C13H28N2O — CID 162747933

IUPAC1-cyclobutyl-4-methylpyrazole;ethane;methanol
SMILESCC.CC.CO.Cc1cnn(C2CCC2)c1
InChIInChI=1S/C8H12N2.2C2H6.CH4O/c1-7-5-9-10(6-7)8-3-2-4-8;3*1-2/h5-6,8H,2-4H2,1H3;2*1-2H3;2H,1H3
InChIKeyKRGNYYADKMCETB-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.58
Rot. Bonds1

About 1-cyclobutyl-4-methylpyrazole;ethane;methanol

1-cyclobutyl-4-methylpyrazole;ethane;methanol (PubChem CID 162747933) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-cyclobutyl-4-methylpyrazole;ethane;methanol.

Molecular Properties

Compound Name1-cyclobutyl-4-methylpyrazole;ethane;methanol
PubChem CID162747933
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-cyclobutyl-4-methylpyrazole;ethane;methanol
SMILESCC.CC.CO.Cc1cnn(C2CCC2)c1
InChIInChI=1S/C8H12N2.2C2H6.CH4O/c1-7-5-9-10(6-7)8-3-2-4-8;3*1-2/h5-6,8H,2-4H2,1H3;2*1-2H3;2H,1H3
InChIKeyKRGNYYADKMCETB-UHFFFAOYSA-N
XLogP3.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-methylpyrazole;ethane;methanol?
The IUPAC name of 1-cyclobutyl-4-methylpyrazole;ethane;methanol (CID 162747933) is 1-cyclobutyl-4-methylpyrazole;ethane;methanol.
What is the SMILES notation for 1-cyclobutyl-4-methylpyrazole;ethane;methanol?
The canonical SMILES for 1-cyclobutyl-4-methylpyrazole;ethane;methanol is CC.CC.CO.Cc1cnn(C2CCC2)c1.
What is the InChIKey of 1-cyclobutyl-4-methylpyrazole;ethane;methanol?
The InChIKey is KRGNYYADKMCETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.2C2H6.CH4O/c1-7-5-9-10(6-7)8-3-2-4-8;3*1-2/h5-6,8H,2-4H2,1H3;2*1-2H3;2H,1H3.
What are the key properties of 1-cyclobutyl-4-methylpyrazole;ethane;methanol?
1-cyclobutyl-4-methylpyrazole;ethane;methanol has a molecular weight of 228.38 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-methylpyrazole;ethane;methanol is sourced from PubChem (CID 162747933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).