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

C16H16N2O3 — CID 3035755

IUPAC2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6-one
SMILESCOc1ccc(Cn2nc3oc(=O)cc(C)c3c2C)cc1
InChIInChI=1S/C16H16N2O3/c1-10-8-14(19)21-16-15(10)11(2)18(17-16)9-12-4-6-13(20-3)7-5-12/h4-8H,9H2,1-3H3
InChIKeyJSKLXDBRUMMHQV-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.66
Rot. Bonds3

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

2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6-one (PubChem CID 3035755) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6-one
PubChem CID3035755
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6-one
SMILESCOc1ccc(Cn2nc3oc(=O)cc(C)c3c2C)cc1
InChIInChI=1S/C16H16N2O3/c1-10-8-14(19)21-16-15(10)11(2)18(17-16)9-12-4-6-13(20-3)7-5-12/h4-8H,9H2,1-3H3
InChIKeyJSKLXDBRUMMHQV-UHFFFAOYSA-N
XLogP2.66
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6-one?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6-one (CID 3035755) is 2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6-one is COc1ccc(Cn2nc3oc(=O)cc(C)c3c2C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6-one?
The InChIKey is JSKLXDBRUMMHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-8-14(19)21-16-15(10)11(2)18(17-16)9-12-4-6-13(20-3)7-5-12/h4-8H,9H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6-one?
2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6-one has a molecular weight of 284.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6-one is sourced from PubChem (CID 3035755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).