4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one

C18H18N2O — CID 104844877

IUPAC4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one
SMILESCc1ccc(Cn2[nH]c(-c3ccccc3)c(C)c2=O)cc1
InChIInChI=1S/C18H18N2O/c1-13-8-10-15(11-9-13)12-20-18(21)14(2)17(19-20)16-6-4-3-5-7-16/h3-11,19H,12H2,1-2H3
InChIKeyLDNONMZDXMUZBD-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.51
Rot. Bonds3

About 4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one

4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one (PubChem CID 104844877) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one
PubChem CID104844877
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one
SMILESCc1ccc(Cn2[nH]c(-c3ccccc3)c(C)c2=O)cc1
InChIInChI=1S/C18H18N2O/c1-13-8-10-15(11-9-13)12-20-18(21)14(2)17(19-20)16-6-4-3-5-7-16/h3-11,19H,12H2,1-2H3
InChIKeyLDNONMZDXMUZBD-UHFFFAOYSA-N
XLogP3.51
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl]-4-methyl-5-phenyl-1H-pyrazol-3-one
CID 104844908
4,5-dimethyl-2-[(4-methylphenyl)methyl]-1H-pyrazol-3-one
CID 22769181
2,4-dimethyl-5-phenyl-1H-pyrazol-3-one
CID 10899399
6-methyl-2-[(4-methylphenyl)methyl]-3-phenylisoquinolin-1-one
CID 10449864
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
2-benzyl-5-methyl-1H-pyrazol-3-one;ethane
CID 143774667
2-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 66023131
2-[(3-chlorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one
CID 22769211
1-[(4-methylphenyl)methyl]-6-phenyl-3-prop-1-ynylpyridin-2-one
CID 59099059
4-amino-2-[(3-fluorophenyl)methyl]-5-phenyl-1H-pyrazol-3-one
CID 103995293
2-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazol-3-one
CID 104844863
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one (CID 104844877) is 4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one is Cc1ccc(Cn2[nH]c(-c3ccccc3)c(C)c2=O)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one?
The InChIKey is LDNONMZDXMUZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-8-10-15(11-9-13)12-20-18(21)14(2)17(19-20)16-6-4-3-5-7-16/h3-11,19H,12H2,1-2H3.
What are the key properties of 4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one?
4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one has a molecular weight of 278.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 104844877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).