N,5-bis(4-chlorophenyl)-3-oxo-4-phenyldiazenyl-1H-pyrazole-2-carboxamide

C22H15Cl2N5O2 — CID 135870046

IUPACN,5-bis(4-chlorophenyl)-3-oxo-4-phenyldiazenyl-1H-pyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)n1[nH]c(-c2ccc(Cl)cc2)c(/N=N/c2ccccc2)c1=O
InChIInChI=1S/C22H15Cl2N5O2/c23-15-8-6-14(7-9-15)19-20(27-26-18-4-2-1-3-5-18)21(30)29(28-19)22(31)25-17-12-10-16(24)11-13-17/h1-13,28H,(H,25,31)/b27-26+
InChIKeyKEKXERVQUVEMAE-CYYJNZCTSA-N
MW452.30 g/mol
LogP6.65
Rot. Bonds4

About N,5-bis(4-chlorophenyl)-3-oxo-4-phenyldiazenyl-1H-pyrazole-2-carboxamide

N,5-bis(4-chlorophenyl)-3-oxo-4-phenyldiazenyl-1H-pyrazole-2-carboxamide (PubChem CID 135870046) has the molecular formula C22H15Cl2N5O2 and a molecular weight of 452.30 g/mol. Its IUPAC name is N,5-bis(4-chlorophenyl)-3-oxo-4-phenyldiazenyl-1H-pyrazole-2-carboxamide.

Molecular Properties

Compound NameN,5-bis(4-chlorophenyl)-3-oxo-4-phenyldiazenyl-1H-pyrazole-2-carboxamide
PubChem CID135870046
Molecular FormulaC22H15Cl2N5O2
Molecular Weight452.30 g/mol
Exact Mass451.06
IUPAC NameN,5-bis(4-chlorophenyl)-3-oxo-4-phenyldiazenyl-1H-pyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)n1[nH]c(-c2ccc(Cl)cc2)c(/N=N/c2ccccc2)c1=O
InChIInChI=1S/C22H15Cl2N5O2/c23-15-8-6-14(7-9-15)19-20(27-26-18-4-2-1-3-5-18)21(30)29(28-19)22(31)25-17-12-10-16(24)11-13-17/h1-13,28H,(H,25,31)/b27-26+
InChIKeyKEKXERVQUVEMAE-CYYJNZCTSA-N
XLogP6.65
TPSA91.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.30
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2-carbamothioyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl]acetamide
CID 1103535
4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 3109320
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
methyl N-[[5-methyl-3-oxo-2-(phenylcarbamoyl)-1H-pyrazol-4-yl]imino]carbamate
CID 135496341
2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one
CID 3109349
2-(4-chlorobenzoyl)-N-(4-phenyldiazenylphenyl)benzamide
CID 165365429
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide
CID 5180654
2,6-dichloro-N-(4-phenyldiazenylphenyl)benzamide
CID 3386476
5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine
CID 4069133
4-[[2-(4-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]diazenyl]benzoic acid
CID 163347408
(2R,3R)-2,3-bis[(4-chlorobenzoyl)oxy]-4-oxo-4-(4-phenyldiazenylanilino)butanoic acid
CID 126383497

Frequently Asked Questions

What is the IUPAC name of N,5-bis(4-chlorophenyl)-3-oxo-4-phenyldiazenyl-1H-pyrazole-2-carboxamide?
The IUPAC name of N,5-bis(4-chlorophenyl)-3-oxo-4-phenyldiazenyl-1H-pyrazole-2-carboxamide (CID 135870046) is N,5-bis(4-chlorophenyl)-3-oxo-4-phenyldiazenyl-1H-pyrazole-2-carboxamide.
What is the SMILES notation for N,5-bis(4-chlorophenyl)-3-oxo-4-phenyldiazenyl-1H-pyrazole-2-carboxamide?
The canonical SMILES for N,5-bis(4-chlorophenyl)-3-oxo-4-phenyldiazenyl-1H-pyrazole-2-carboxamide is O=C(Nc1ccc(Cl)cc1)n1[nH]c(-c2ccc(Cl)cc2)c(/N=N/c2ccccc2)c1=O.
What is the InChIKey of N,5-bis(4-chlorophenyl)-3-oxo-4-phenyldiazenyl-1H-pyrazole-2-carboxamide?
The InChIKey is KEKXERVQUVEMAE-CYYJNZCTSA-N. The full InChI is InChI=1S/C22H15Cl2N5O2/c23-15-8-6-14(7-9-15)19-20(27-26-18-4-2-1-3-5-18)21(30)29(28-19)22(31)25-17-12-10-16(24)11-13-17/h1-13,28H,(H,25,31)/b27-26+.
What are the key properties of N,5-bis(4-chlorophenyl)-3-oxo-4-phenyldiazenyl-1H-pyrazole-2-carboxamide?
N,5-bis(4-chlorophenyl)-3-oxo-4-phenyldiazenyl-1H-pyrazole-2-carboxamide has a molecular weight of 452.30 g/mol, XLogP of 6.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-chlorophenyl)-3-oxo-4-phenyldiazenyl-1H-pyrazole-2-carboxamide is sourced from PubChem (CID 135870046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).