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

C24H18N4O2 — CID 139222398

IUPAC5-[4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-4H-pyrazol-3-one
SMILESO=C1CC(c2ccc(-c3cc(=O)n(-c4ccccc4)[nH]3)cc2)=NN1c1ccccc1
InChIInChI=1S/C24H18N4O2/c29-23-15-21(25-27(23)19-7-3-1-4-8-19)17-11-13-18(14-12-17)22-16-24(30)28(26-22)20-9-5-2-6-10-20/h1-15,25H,16H2
InChIKeyVYGHWKKZRQOWPO-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.97
Rot. Bonds4

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

5-[4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-4H-pyrazol-3-one (PubChem CID 139222398) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-[4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-[4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-4H-pyrazol-3-one
PubChem CID139222398
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name5-[4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-4H-pyrazol-3-one
SMILESO=C1CC(c2ccc(-c3cc(=O)n(-c4ccccc4)[nH]3)cc2)=NN1c1ccccc1
InChIInChI=1S/C24H18N4O2/c29-23-15-21(25-27(23)19-7-3-1-4-8-19)17-11-13-18(14-12-17)22-16-24(30)28(26-22)20-9-5-2-6-10-20/h1-15,25H,16H2
InChIKeyVYGHWKKZRQOWPO-UHFFFAOYSA-N
XLogP3.97
TPSA70.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-diphenyl-1H-pyrazol-3-one;hydrochloride
CID 91989506
5-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-phenyl-1H-pyrazol-3-one
CID 57221591
5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one
CID 11807549
5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one
CID 751024
5-[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]-2-phenyl-1H-pyrazol-3-one
CID 68977445
2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one
CID 28829622
4-(3-oxo-5-phenyl-1H-pyrazol-2-yl)benzoate
CID 4745967
2,5-bis(4-methoxyphenyl)-1H-pyrazol-3-one
CID 5311780
2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one
CID 107958349
5-chloro-2-phenyl-4H-pyrazol-3-one
CID 18922596
5-cyclopropyl-2-phenyl-1H-pyrazol-3-one
CID 66022699
methyl 4-(3-oxo-5-phenyl-1H-pyrazol-2-yl)benzoate
CID 19578500

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-4H-pyrazol-3-one?
The IUPAC name of 5-[4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-4H-pyrazol-3-one (CID 139222398) is 5-[4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-[4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 5-[4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-4H-pyrazol-3-one is O=C1CC(c2ccc(-c3cc(=O)n(-c4ccccc4)[nH]3)cc2)=NN1c1ccccc1.
What is the InChIKey of 5-[4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-4H-pyrazol-3-one?
The InChIKey is VYGHWKKZRQOWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c29-23-15-21(25-27(23)19-7-3-1-4-8-19)17-11-13-18(14-12-17)22-16-24(30)28(26-22)20-9-5-2-6-10-20/h1-15,25H,16H2.
What are the key properties of 5-[4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-4H-pyrazol-3-one?
5-[4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-4H-pyrazol-3-one has a molecular weight of 394.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 139222398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).