1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one

C15H12N2O3 — CID 23818666

IUPAC1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one
SMILESCc1cc2c(c(C)nn2C(=O)c2ccccc2)c(=O)o1
InChIInChI=1S/C15H12N2O3/c1-9-8-12-13(15(19)20-9)10(2)16-17(12)14(18)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyARVNMVUEFUOMFP-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.29
Rot. Bonds1

About 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one

1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one (PubChem CID 23818666) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one.

Molecular Properties

Compound Name1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one
PubChem CID23818666
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one
SMILESCc1cc2c(c(C)nn2C(=O)c2ccccc2)c(=O)o1
InChIInChI=1S/C15H12N2O3/c1-9-8-12-13(15(19)20-9)10(2)16-17(12)14(18)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyARVNMVUEFUOMFP-UHFFFAOYSA-N
XLogP2.29
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one?
The IUPAC name of 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one (CID 23818666) is 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one.
What is the SMILES notation for 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one?
The canonical SMILES for 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one is Cc1cc2c(c(C)nn2C(=O)c2ccccc2)c(=O)o1.
What is the InChIKey of 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one?
The InChIKey is ARVNMVUEFUOMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9-8-12-13(15(19)20-9)10(2)16-17(12)14(18)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one?
1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one has a molecular weight of 268.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one is sourced from PubChem (CID 23818666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).