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

C23H20N2O2 — CID 164612679

IUPAC4-[(4-methoxyphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one
SMILESCOc1ccc(CC2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c1-27-20-14-12-17(13-15-20)16-21-22(18-8-4-2-5-9-18)24-25(23(21)26)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3
InChIKeyJWBXMMIZXVXVJY-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.30
Rot. Bonds5

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

4-[(4-methoxyphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one (PubChem CID 164612679) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one
PubChem CID164612679
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name4-[(4-methoxyphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one
SMILESCOc1ccc(CC2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c1-27-20-14-12-17(13-15-20)16-21-22(18-8-4-2-5-9-18)24-25(23(21)26)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3
InChIKeyJWBXMMIZXVXVJY-UHFFFAOYSA-N
XLogP4.30
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one (CID 164612679) is 4-[(4-methoxyphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one is COc1ccc(CC2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one?
The InChIKey is JWBXMMIZXVXVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-27-20-14-12-17(13-15-20)16-21-22(18-8-4-2-5-9-18)24-25(23(21)26)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one?
4-[(4-methoxyphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one has a molecular weight of 356.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one is sourced from PubChem (CID 164612679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).