2-cyclobutyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one

C10H14N2O2 — CID 105448119

IUPAC2-cyclobutyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1CCC1)COCC2
InChIInChI=1S/C10H14N2O2/c13-10-8-4-5-14-6-9(8)11-12(10)7-2-1-3-7/h7,11H,1-6H2
InChIKeyLJHNMFFRRYGHGZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.97
Rot. Bonds1

About 2-cyclobutyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one

2-cyclobutyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one (PubChem CID 105448119) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-cyclobutyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-cyclobutyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
PubChem CID105448119
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-cyclobutyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1CCC1)COCC2
InChIInChI=1S/C10H14N2O2/c13-10-8-4-5-14-6-9(8)11-12(10)7-2-1-3-7/h7,11H,1-6H2
InChIKeyLJHNMFFRRYGHGZ-UHFFFAOYSA-N
XLogP0.97
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105430049
2-Methyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105430050
1-Ethyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105433733
2-Ethyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105433734
1-Cyclopropyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105438681
2-Cyclopropyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105438683
1-Propan-2-yl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105440023
2-Propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105440024
2-(2-Aminoethyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105440530
2-(2-Hydroxyethyl)-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105441010
1-Cyclobutyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 105448114
1-Cyclobutyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105448118

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one?
The IUPAC name of 2-cyclobutyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one (CID 105448119) is 2-cyclobutyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-cyclobutyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-cyclobutyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one is O=c1c2c([nH]n1C1CCC1)COCC2.
What is the InChIKey of 2-cyclobutyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one?
The InChIKey is LJHNMFFRRYGHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10-8-4-5-14-6-9(8)11-12(10)7-2-1-3-7/h7,11H,1-6H2.
What are the key properties of 2-cyclobutyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one?
2-cyclobutyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one has a molecular weight of 194.23 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one is sourced from PubChem (CID 105448119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).