2-(4-methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one

C15H14N2O3 — CID 57393455

IUPAC2-(4-methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one
SMILESCOc1ccc(-n2nc3cc(C)oc(=O)c3c2C)cc1
InChIInChI=1S/C15H14N2O3/c1-9-8-13-14(15(18)20-9)10(2)17(16-13)11-4-6-12(19-3)7-5-11/h4-8H,1-3H3
InChIKeyBVVMIRIBCUYWPI-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.60
Rot. Bonds2

About 2-(4-methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one

2-(4-methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one (PubChem CID 57393455) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one
PubChem CID57393455
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-(4-methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one
SMILESCOc1ccc(-n2nc3cc(C)oc(=O)c3c2C)cc1
InChIInChI=1S/C15H14N2O3/c1-9-8-13-14(15(18)20-9)10(2)17(16-13)11-4-6-12(19-3)7-5-11/h4-8H,1-3H3
InChIKeyBVVMIRIBCUYWPI-UHFFFAOYSA-N
XLogP2.60
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one (CID 57393455) is 2-(4-methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one is COc1ccc(-n2nc3cc(C)oc(=O)c3c2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one?
The InChIKey is BVVMIRIBCUYWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-8-13-14(15(18)20-9)10(2)17(16-13)11-4-6-12(19-3)7-5-11/h4-8H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one?
2-(4-methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one has a molecular weight of 270.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3,6-dimethylpyrano[4,3-c]pyrazol-4-one is sourced from PubChem (CID 57393455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).