N-[4-[[(4R)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide

C19H18N6O3 — CID 98215311

IUPACN-[4-[[(4R)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide
SMILESCC(=O)NC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H18N6O3/c1-12(26)20-14-8-10-15(11-9-14)22-23-17-18(21-13(2)27)24-25(19(17)28)16-6-4-3-5-7-16/h3-11,17H,1-2H3,(H,20,26)(H,21,24,27)/b23-22+/t17-/m1/s1
InChIKeyFJZHIBGMEBXZSJ-DUPNKOKHSA-N
MW378.39 g/mol
LogP2.59
Rot. Bonds4

About N-[4-[[(4R)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide

N-[4-[[(4R)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide (PubChem CID 98215311) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[4-[[(4R)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4R)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide
PubChem CID98215311
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC NameN-[4-[[(4R)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide
SMILESCC(=O)NC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H18N6O3/c1-12(26)20-14-8-10-15(11-9-14)22-23-17-18(21-13(2)27)24-25(19(17)28)16-6-4-3-5-7-16/h3-11,17H,1-2H3,(H,20,26)(H,21,24,27)/b23-22+/t17-/m1/s1
InChIKeyFJZHIBGMEBXZSJ-DUPNKOKHSA-N
XLogP2.59
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-chlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
CID 3810371
N-[4-[(3-methylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
CID 3850753
N-[(4S)-4-[(2-hydroxyphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
CID 136919302
5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid
CID 88641283
N-[(4R)-4-chloro-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
CID 98157977
5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide
CID 3020110
N-[4-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylideneamino]phenyl]acetamide
CID 27869886
(4S)-4-[(4-chlorophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 98219390
[(4S)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl] thiocyanate
CID 27059032
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
(4S)-5-methyl-4-[(3-methylphenyl)diazenyl]-2-phenyl-4H-pyrazol-3-one
CID 98295031
alumane;5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
CID 175302839

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4R)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(4R)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide (CID 98215311) is N-[4-[[(4R)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4R)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4R)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide is CC(=O)NC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[(4R)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide?
The InChIKey is FJZHIBGMEBXZSJ-DUPNKOKHSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-12(26)20-14-8-10-15(11-9-14)22-23-17-18(21-13(2)27)24-25(19(17)28)16-6-4-3-5-7-16/h3-11,17H,1-2H3,(H,20,26)(H,21,24,27)/b23-22+/t17-/m1/s1.
What are the key properties of N-[4-[[(4R)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide?
N-[4-[[(4R)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide has a molecular weight of 378.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4R)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide is sourced from PubChem (CID 98215311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).