1-(2,4-dimethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one

C16H16N2O2 — CID 4988577

IUPAC1-(2,4-dimethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
SMILESCc1ccc(-n2nc(C)c3c(C)cc(=O)oc32)c(C)c1
InChIInChI=1S/C16H16N2O2/c1-9-5-6-13(10(2)7-9)18-16-15(12(4)17-18)11(3)8-14(19)20-16/h5-8H,1-4H3
InChIKeyCJNXYUOAMVUGEO-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.21
Rot. Bonds1

About 1-(2,4-dimethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one

1-(2,4-dimethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one (PubChem CID 4988577) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
PubChem CID4988577
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-(2,4-dimethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
SMILESCc1ccc(-n2nc(C)c3c(C)cc(=O)oc32)c(C)c1
InChIInChI=1S/C16H16N2O2/c1-9-5-6-13(10(2)7-9)18-16-15(12(4)17-18)11(3)8-14(19)20-16/h5-8H,1-4H3
InChIKeyCJNXYUOAMVUGEO-UHFFFAOYSA-N
XLogP3.21
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one (CID 4988577) is 1-(2,4-dimethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one is Cc1ccc(-n2nc(C)c3c(C)cc(=O)oc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The InChIKey is CJNXYUOAMVUGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-9-5-6-13(10(2)7-9)18-16-15(12(4)17-18)11(3)8-14(19)20-16/h5-8H,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
1-(2,4-dimethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one has a molecular weight of 268.32 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one is sourced from PubChem (CID 4988577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).