5-methyl-4-[2-methyl-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propyl]-2-phenyl-1H-pyrazol-3-one

C24H26N4O2 — CID 11475141

IUPAC5-methyl-4-[2-methyl-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propyl]-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)C(C)C
InChIInChI=1S/C24H26N4O2/c1-15(2)20(21-16(3)25-27(23(21)29)18-11-7-5-8-12-18)22-17(4)26-28(24(22)30)19-13-9-6-10-14-19/h5-15,20,25-26H,1-4H3
InChIKeyWRZMBYZJXOYCCJ-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.05
Rot. Bonds5

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

5-methyl-4-[2-methyl-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propyl]-2-phenyl-1H-pyrazol-3-one (PubChem CID 11475141) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 5-methyl-4-[2-methyl-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propyl]-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-[2-methyl-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propyl]-2-phenyl-1H-pyrazol-3-one
PubChem CID11475141
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name5-methyl-4-[2-methyl-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propyl]-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)C(C)C
InChIInChI=1S/C24H26N4O2/c1-15(2)20(21-16(3)25-27(23(21)29)18-11-7-5-8-12-18)22-17(4)26-28(24(22)30)19-13-9-6-10-14-19/h5-15,20,25-26H,1-4H3
InChIKeyWRZMBYZJXOYCCJ-UHFFFAOYSA-N
XLogP4.05
TPSA75.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Diphenyl-1H-pyrazol-5-OL
CID 245736
Diantipyrylmethane
CID 96229
2,4-Dihydro-4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-YL)methylene]-5-methyl-2-phenyl-3H-pyrazol-3-one
CID 1070531
4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 1130374
5-methyl-3-oxo-N,2-diphenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
CID 2384714
(4Z)-5-methyl-4-[2-(4-methylphenyl)hydrazinylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 626055
3H-Pyrazol-3-one, 4,4'-butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-
CID 73829
4-[(1,5-Dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-1,2-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
CID 85930
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
(4E)-5-methyl-4-[(2-methylphenyl)hydrazinylidene]-2-phenylpyrazol-3-one
CID 786618
1,2-Dihydro-4,5-dimethyl-2-phenyl-3H-pyrazol-3-one
CID 604673

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-methyl-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propyl]-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-4-[2-methyl-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propyl]-2-phenyl-1H-pyrazol-3-one (CID 11475141) is 5-methyl-4-[2-methyl-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propyl]-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-4-[2-methyl-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propyl]-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-4-[2-methyl-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propyl]-2-phenyl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)C(C)C.
What is the InChIKey of 5-methyl-4-[2-methyl-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propyl]-2-phenyl-1H-pyrazol-3-one?
The InChIKey is WRZMBYZJXOYCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-15(2)20(21-16(3)25-27(23(21)29)18-11-7-5-8-12-18)22-17(4)26-28(24(22)30)19-13-9-6-10-14-19/h5-15,20,25-26H,1-4H3.
What are the key properties of 5-methyl-4-[2-methyl-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propyl]-2-phenyl-1H-pyrazol-3-one?
5-methyl-4-[2-methyl-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propyl]-2-phenyl-1H-pyrazol-3-one has a molecular weight of 402.50 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-methyl-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propyl]-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 11475141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).