2-[4-(4-methoxyphenyl)phenyl]-5-methyl-4H-pyrazol-3-one

C17H16N2O2 — CID 127037768

IUPAC2-[4-(4-methoxyphenyl)phenyl]-5-methyl-4H-pyrazol-3-one
SMILESCOc1ccc(-c2ccc(N3N=C(C)CC3=O)cc2)cc1
InChIInChI=1S/C17H16N2O2/c1-12-11-17(20)19(18-12)15-7-3-13(4-8-15)14-5-9-16(21-2)10-6-14/h3-10H,11H2,1-2H3
InChIKeyYXSNWRHQYKPTKG-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.47
Rot. Bonds3

About 2-[4-(4-methoxyphenyl)phenyl]-5-methyl-4H-pyrazol-3-one

2-[4-(4-methoxyphenyl)phenyl]-5-methyl-4H-pyrazol-3-one (PubChem CID 127037768) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)phenyl]-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)phenyl]-5-methyl-4H-pyrazol-3-one
PubChem CID127037768
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[4-(4-methoxyphenyl)phenyl]-5-methyl-4H-pyrazol-3-one
SMILESCOc1ccc(-c2ccc(N3N=C(C)CC3=O)cc2)cc1
InChIInChI=1S/C17H16N2O2/c1-12-11-17(20)19(18-12)15-7-3-13(4-8-15)14-5-9-16(21-2)10-6-14/h3-10H,11H2,1-2H3
InChIKeyYXSNWRHQYKPTKG-UHFFFAOYSA-N
XLogP3.47
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)phenyl]-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-[4-(4-methoxyphenyl)phenyl]-5-methyl-4H-pyrazol-3-one (CID 127037768) is 2-[4-(4-methoxyphenyl)phenyl]-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)phenyl]-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-[4-(4-methoxyphenyl)phenyl]-5-methyl-4H-pyrazol-3-one is COc1ccc(-c2ccc(N3N=C(C)CC3=O)cc2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)phenyl]-5-methyl-4H-pyrazol-3-one?
The InChIKey is YXSNWRHQYKPTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-11-17(20)19(18-12)15-7-3-13(4-8-15)14-5-9-16(21-2)10-6-14/h3-10H,11H2,1-2H3.
What are the key properties of 2-[4-(4-methoxyphenyl)phenyl]-5-methyl-4H-pyrazol-3-one?
2-[4-(4-methoxyphenyl)phenyl]-5-methyl-4H-pyrazol-3-one has a molecular weight of 280.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)phenyl]-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 127037768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).