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

C17H14ClN5O2 — CID 3810371

IUPACN-[4-[(4-chlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
SMILESCC(=O)NC1=NN(c2ccccc2)C(=O)C1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN5O2/c1-11(24)19-16-15(21-20-13-9-7-12(18)8-10-13)17(25)23(22-16)14-5-3-2-4-6-14/h2-10,15H,1H3,(H,19,22,24)/b21-20+
InChIKeyCAONCLBWLWFOEZ-QZQOTICOSA-N
MW355.79 g/mol
LogP3.29
Rot. Bonds3

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

N-[4-[(4-chlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide (PubChem CID 3810371) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
PubChem CID3810371
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC NameN-[4-[(4-chlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
SMILESCC(=O)NC1=NN(c2ccccc2)C(=O)C1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN5O2/c1-11(24)19-16-15(21-20-13-9-7-12(18)8-10-13)17(25)23(22-16)14-5-3-2-4-6-14/h2-10,15H,1H3,(H,19,22,24)/b21-20+
InChIKeyCAONCLBWLWFOEZ-QZQOTICOSA-N
XLogP3.29
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[4-[(4-chlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide (CID 3810371) is N-[4-[(4-chlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide is CC(=O)NC1=NN(c2ccccc2)C(=O)C1/N=N/c1ccc(Cl)cc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide?
The InChIKey is CAONCLBWLWFOEZ-QZQOTICOSA-N. The full InChI is InChI=1S/C17H14ClN5O2/c1-11(24)19-16-15(21-20-13-9-7-12(18)8-10-13)17(25)23(22-16)14-5-3-2-4-6-14/h2-10,15H,1H3,(H,19,22,24)/b21-20+.
What are the key properties of N-[4-[(4-chlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide?
N-[4-[(4-chlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide has a molecular weight of 355.79 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 3810371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).