3,6-dimethyl-1-phenylpyrano[3,4-d]pyrazol-4-one

C14H12N2O2 — CID 648662

IUPAC3,6-dimethyl-1-phenylpyrano[3,4-d]pyrazol-4-one
SMILESCc1cc2c(c(C)nn2-c2ccccc2)c(=O)o1
InChIInChI=1S/C14H12N2O2/c1-9-8-12-13(14(17)18-9)10(2)15-16(12)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyQFLNHAGJDXPCGY-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.60
Rot. Bonds1

About 3,6-dimethyl-1-phenylpyrano[3,4-d]pyrazol-4-one

3,6-dimethyl-1-phenylpyrano[3,4-d]pyrazol-4-one (PubChem CID 648662) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3,6-dimethyl-1-phenylpyrano[3,4-d]pyrazol-4-one.

Molecular Properties

Compound Name3,6-dimethyl-1-phenylpyrano[3,4-d]pyrazol-4-one
PubChem CID648662
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3,6-dimethyl-1-phenylpyrano[3,4-d]pyrazol-4-one
SMILESCc1cc2c(c(C)nn2-c2ccccc2)c(=O)o1
InChIInChI=1S/C14H12N2O2/c1-9-8-12-13(14(17)18-9)10(2)15-16(12)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyQFLNHAGJDXPCGY-UHFFFAOYSA-N
XLogP2.60
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-phenylpyrano[3,4-d]pyrazol-4-one?
The IUPAC name of 3,6-dimethyl-1-phenylpyrano[3,4-d]pyrazol-4-one (CID 648662) is 3,6-dimethyl-1-phenylpyrano[3,4-d]pyrazol-4-one.
What is the SMILES notation for 3,6-dimethyl-1-phenylpyrano[3,4-d]pyrazol-4-one?
The canonical SMILES for 3,6-dimethyl-1-phenylpyrano[3,4-d]pyrazol-4-one is Cc1cc2c(c(C)nn2-c2ccccc2)c(=O)o1.
What is the InChIKey of 3,6-dimethyl-1-phenylpyrano[3,4-d]pyrazol-4-one?
The InChIKey is QFLNHAGJDXPCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-8-12-13(14(17)18-9)10(2)15-16(12)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 3,6-dimethyl-1-phenylpyrano[3,4-d]pyrazol-4-one?
3,6-dimethyl-1-phenylpyrano[3,4-d]pyrazol-4-one has a molecular weight of 240.26 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-phenylpyrano[3,4-d]pyrazol-4-one is sourced from PubChem (CID 648662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).