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

C23H20N2O — CID 15263293

IUPAC4-[(3-methylphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one
SMILESCc1cccc(CC2C(=O)N(c3ccccc3)N=C2c2ccccc2)c1
InChIInChI=1S/C23H20N2O/c1-17-9-8-10-18(15-17)16-21-22(19-11-4-2-5-12-19)24-25(23(21)26)20-13-6-3-7-14-20/h2-15,21H,16H2,1H3
InChIKeyPSRBJXAQZCBEDX-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.60
Rot. Bonds4

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

4-[(3-methylphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one (PubChem CID 15263293) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(3-methylphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one
PubChem CID15263293
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name4-[(3-methylphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one
SMILESCc1cccc(CC2C(=O)N(c3ccccc3)N=C2c2ccccc2)c1
InChIInChI=1S/C23H20N2O/c1-17-9-8-10-18(15-17)16-21-22(19-11-4-2-5-12-19)24-25(23(21)26)20-13-6-3-7-14-20/h2-15,21H,16H2,1H3
InChIKeyPSRBJXAQZCBEDX-UHFFFAOYSA-N
XLogP4.60
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one?
The IUPAC name of 4-[(3-methylphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one (CID 15263293) is 4-[(3-methylphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one.
What is the SMILES notation for 4-[(3-methylphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one?
The canonical SMILES for 4-[(3-methylphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one is Cc1cccc(CC2C(=O)N(c3ccccc3)N=C2c2ccccc2)c1.
What is the InChIKey of 4-[(3-methylphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one?
The InChIKey is PSRBJXAQZCBEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-17-9-8-10-18(15-17)16-21-22(19-11-4-2-5-12-19)24-25(23(21)26)20-13-6-3-7-14-20/h2-15,21H,16H2,1H3.
What are the key properties of 4-[(3-methylphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one?
4-[(3-methylphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one has a molecular weight of 340.43 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one is sourced from PubChem (CID 15263293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).