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

C16H16N2O2 — CID 3275580

IUPAC1-(4-ethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
SMILESCCc1ccc(-n2nc(C)c3c(C)cc(=O)oc32)cc1
InChIInChI=1S/C16H16N2O2/c1-4-12-5-7-13(8-6-12)18-16-15(11(3)17-18)10(2)9-14(19)20-16/h5-9H,4H2,1-3H3
InChIKeyZIGKXUBWBQZSNQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.16
Rot. Bonds2

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

1-(4-ethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one (PubChem CID 3275580) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
PubChem CID3275580
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-(4-ethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
SMILESCCc1ccc(-n2nc(C)c3c(C)cc(=O)oc32)cc1
InChIInChI=1S/C16H16N2O2/c1-4-12-5-7-13(8-6-12)18-16-15(11(3)17-18)10(2)9-14(19)20-16/h5-9H,4H2,1-3H3
InChIKeyZIGKXUBWBQZSNQ-UHFFFAOYSA-N
XLogP3.16
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The IUPAC name of 1-(4-ethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one (CID 3275580) is 1-(4-ethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one.
What is the SMILES notation for 1-(4-ethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The canonical SMILES for 1-(4-ethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one is CCc1ccc(-n2nc(C)c3c(C)cc(=O)oc32)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The InChIKey is ZIGKXUBWBQZSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-4-12-5-7-13(8-6-12)18-16-15(11(3)17-18)10(2)9-14(19)20-16/h5-9H,4H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
1-(4-ethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one has a molecular weight of 268.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one is sourced from PubChem (CID 3275580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).