4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide

C29H23N5O — CID 4862205

IUPAC4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide
SMILESCc1cc(-c2ccccc2)n(-c2ccc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)cc2)n1
InChIInChI=1S/C29H23N5O/c1-21-20-28(22-8-4-2-5-9-22)34(33-21)27-18-12-23(13-19-27)29(35)30-24-14-16-26(17-15-24)32-31-25-10-6-3-7-11-25/h2-20H,1H3,(H,30,35)/b32-31+
InChIKeyJMWKBLLAIHDRLG-QNEJGDQOSA-N
MW457.54 g/mol
LogP7.52
Rot. Bonds6

About 4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide

4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide (PubChem CID 4862205) has the molecular formula C29H23N5O and a molecular weight of 457.54 g/mol. Its IUPAC name is 4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide.

Molecular Properties

Compound Name4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide
PubChem CID4862205
Molecular FormulaC29H23N5O
Molecular Weight457.54 g/mol
Exact Mass457.19
IUPAC Name4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide
SMILESCc1cc(-c2ccccc2)n(-c2ccc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)cc2)n1
InChIInChI=1S/C29H23N5O/c1-21-20-28(22-8-4-2-5-9-22)34(33-21)27-18-12-23(13-19-27)29(35)30-24-14-16-26(17-15-24)32-31-25-10-6-3-7-11-25/h2-20H,1H3,(H,30,35)/b32-31+
InChIKeyJMWKBLLAIHDRLG-QNEJGDQOSA-N
XLogP7.52
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.54
LogP ≤ 57.52
H-Bond Donors ≤ 51
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

4-(3-methyl-5-phenylpyrazol-1-yl)benzoate
CID 7140279
N-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862246
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
N-cyclohexyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862165
N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862170
N-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862190
3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide
CID 3466026
(4-methoxycarbonylphenyl) 4-(3-methyl-5-phenylpyrazol-1-yl)benzoate
CID 4862192
N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide
CID 4862276
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide?
The IUPAC name of 4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide (CID 4862205) is 4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide.
What is the SMILES notation for 4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide?
The canonical SMILES for 4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide is Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)cc2)n1.
What is the InChIKey of 4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide?
The InChIKey is JMWKBLLAIHDRLG-QNEJGDQOSA-N. The full InChI is InChI=1S/C29H23N5O/c1-21-20-28(22-8-4-2-5-9-22)34(33-21)27-18-12-23(13-19-27)29(35)30-24-14-16-26(17-15-24)32-31-25-10-6-3-7-11-25/h2-20H,1H3,(H,30,35)/b32-31+.
What are the key properties of 4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide?
4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide has a molecular weight of 457.54 g/mol, XLogP of 7.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide is sourced from PubChem (CID 4862205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).