4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one

C30H30N4O2 — CID 13309966

IUPAC4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1ccccc1C(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C30H30N4O2/c1-20-14-12-13-19-25(20)28(26-21(2)31(4)33(29(26)35)23-15-8-6-9-16-23)27-22(3)32(5)34(30(27)36)24-17-10-7-11-18-24/h6-19,28H,1-5H3
InChIKeyYNPMISZOYVUOOZ-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.77
Rot. Bonds5

About 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 13309966) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID13309966
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC Name4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1ccccc1C(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C30H30N4O2/c1-20-14-12-13-19-25(20)28(26-21(2)31(4)33(29(26)35)23-15-8-6-9-16-23)27-22(3)32(5)34(30(27)36)24-17-10-7-11-18-24/h6-19,28H,1-5H3
InChIKeyYNPMISZOYVUOOZ-UHFFFAOYSA-N
XLogP4.77
TPSA53.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one with MolForge

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Related Compounds

Diantipyrylmethane
CID 96229
3H-Pyrazol-3-one, 4,4'-butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-
CID 73829
4,4'-(propane-1,1-diyl)bis(1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one)
CID 658695
4,4'-heptane-1,1-diylbis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
CID 647152
4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)[4-(dimethylamino)phenyl]methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
CID 5130911
(1R,7S)-3-benzyl-1,10,10-trimethyl-4-phenyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one
CID 16118895
2,6-Dimethyl-N(3),N(5),4-triphenyl-1,4-dihydro-3,5-pyridinedicarboxamide
CID 358533
4-[(2,3-Dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))(4-nitrophenyl)methyl]-2,3-d imethyl-1-phenyl-3-pyrazolin-5-one
CID 2834119
4-(4-(Dimethylamino)phenyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide
CID 366928
Antipyrine, 4-(2-benzoylvinyl)-
CID 6433638
3,5-Pyrazolidinedione, 1,2,4-triphenyl-
CID 213501
1,2-Diphenyl-4-(phenylmethyl)-3,5-pyrazolidinedione
CID 213502

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 13309966) is 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1ccccc1C(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is YNPMISZOYVUOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-20-14-12-13-19-25(20)28(26-21(2)31(4)33(29(26)35)23-15-8-6-9-16-23)27-22(3)32(5)34(30(27)36)24-17-10-7-11-18-24/h6-19,28H,1-5H3.
What are the key properties of 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 478.60 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 13309966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).