1-cyclobutyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one

C10H14N2O2 — CID 105448114

IUPAC1-cyclobutyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
SMILESO=c1[nH]n(C2CCC2)c2c1COCC2
InChIInChI=1S/C10H14N2O2/c13-10-8-6-14-5-4-9(8)12(11-10)7-2-1-3-7/h7H,1-6H2,(H,11,13)
InChIKeyVSJXZNWAIJTWOQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.97
Rot. Bonds1

About 1-cyclobutyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one

1-cyclobutyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one (PubChem CID 105448114) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-cyclobutyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one.

Molecular Properties

Compound Name1-cyclobutyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
PubChem CID105448114
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-cyclobutyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
SMILESO=c1[nH]n(C2CCC2)c2c1COCC2
InChIInChI=1S/C10H14N2O2/c13-10-8-6-14-5-4-9(8)12(11-10)7-2-1-3-7/h7H,1-6H2,(H,11,13)
InChIKeyVSJXZNWAIJTWOQ-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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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
The IUPAC name of 1-cyclobutyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one (CID 105448114) is 1-cyclobutyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one.
What is the SMILES notation for 1-cyclobutyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
The canonical SMILES for 1-cyclobutyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one is O=c1[nH]n(C2CCC2)c2c1COCC2.
What is the InChIKey of 1-cyclobutyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
The InChIKey is VSJXZNWAIJTWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10-8-6-14-5-4-9(8)12(11-10)7-2-1-3-7/h7H,1-6H2,(H,11,13).
What are the key properties of 1-cyclobutyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
1-cyclobutyl-2,4,6,7-tetrahydropyrano[4,3-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 1-cyclobutyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one is sourced from PubChem (CID 105448114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).