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

C24H16N6O4 — CID 139222390

IUPAC4-nitroso-5-[4-(4-nitroso-3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-1H-pyrazol-3-one
SMILESO=Nc1c(-c2ccc(-c3[nH]n(-c4ccccc4)c(=O)c3N=O)cc2)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C24H16N6O4/c31-23-21(27-33)19(25-29(23)17-7-3-1-4-8-17)15-11-13-16(14-12-15)20-22(28-34)24(32)30(26-20)18-9-5-2-6-10-18/h1-14,25-26H
InChIKeyQVAVAOJMJVCEEO-UHFFFAOYSA-N
MW452.43 g/mol
LogP4.77
Rot. Bonds6

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

4-nitroso-5-[4-(4-nitroso-3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-1H-pyrazol-3-one (PubChem CID 139222390) has the molecular formula C24H16N6O4 and a molecular weight of 452.43 g/mol. Its IUPAC name is 4-nitroso-5-[4-(4-nitroso-3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-nitroso-5-[4-(4-nitroso-3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-1H-pyrazol-3-one
PubChem CID139222390
Molecular FormulaC24H16N6O4
Molecular Weight452.43 g/mol
Exact Mass452.12
IUPAC Name4-nitroso-5-[4-(4-nitroso-3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-1H-pyrazol-3-one
SMILESO=Nc1c(-c2ccc(-c3[nH]n(-c4ccccc4)c(=O)c3N=O)cc2)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C24H16N6O4/c31-23-21(27-33)19(25-29(23)17-7-3-1-4-8-17)15-11-13-16(14-12-15)20-22(28-34)24(32)30(26-20)18-9-5-2-6-10-18/h1-14,25-26H
InChIKeyQVAVAOJMJVCEEO-UHFFFAOYSA-N
XLogP4.77
TPSA134.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one
CID 3109349
4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 3109320
4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 5238721
4-[(2-bromophenyl)diazenyl]-5-(4-nitrophenyl)-2-phenyl-1H-pyrazol-3-one
CID 3454304
4-nitroso-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-phenyl-1H-pyrazol-3-one
CID 137332282
4-[[2-(4-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]diazenyl]benzoic acid
CID 163347408
3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylate
CID 2384840
4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one
CID 12053553
2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one
CID 3109396
4-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 3359212
3-[[5-(4-methoxyphenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]diazenyl]benzoic acid
CID 135645862
4-[[5-(4-nitrophenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]diazenyl]benzamide
CID 3109388

Frequently Asked Questions

What is the IUPAC name of 4-nitroso-5-[4-(4-nitroso-3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-nitroso-5-[4-(4-nitroso-3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-1H-pyrazol-3-one (CID 139222390) is 4-nitroso-5-[4-(4-nitroso-3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-nitroso-5-[4-(4-nitroso-3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-nitroso-5-[4-(4-nitroso-3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-1H-pyrazol-3-one is O=Nc1c(-c2ccc(-c3[nH]n(-c4ccccc4)c(=O)c3N=O)cc2)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 4-nitroso-5-[4-(4-nitroso-3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-1H-pyrazol-3-one?
The InChIKey is QVAVAOJMJVCEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6O4/c31-23-21(27-33)19(25-29(23)17-7-3-1-4-8-17)15-11-13-16(14-12-15)20-22(28-34)24(32)30(26-20)18-9-5-2-6-10-18/h1-14,25-26H.
What are the key properties of 4-nitroso-5-[4-(4-nitroso-3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-1H-pyrazol-3-one?
4-nitroso-5-[4-(4-nitroso-3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-1H-pyrazol-3-one has a molecular weight of 452.43 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroso-5-[4-(4-nitroso-3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 139222390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).