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

C18H17N5O2 — CID 3850753

IUPACN-[4-[(3-methylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
SMILESCC(=O)NC1=NN(c2ccccc2)C(=O)C1/N=N/c1cccc(C)c1
InChIInChI=1S/C18H17N5O2/c1-12-7-6-8-14(11-12)20-21-16-17(19-13(2)24)22-23(18(16)25)15-9-4-3-5-10-15/h3-11,16H,1-2H3,(H,19,22,24)/b21-20+
InChIKeyHZDIIPHAEGVWBG-QZQOTICOSA-N
MW335.37 g/mol
LogP2.94
Rot. Bonds3

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

N-[4-[(3-methylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide (PubChem CID 3850753) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[4-[(3-methylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-methylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
PubChem CID3850753
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[4-[(3-methylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
SMILESCC(=O)NC1=NN(c2ccccc2)C(=O)C1/N=N/c1cccc(C)c1
InChIInChI=1S/C18H17N5O2/c1-12-7-6-8-14(11-12)20-21-16-17(19-13(2)24)22-23(18(16)25)15-9-4-3-5-10-15/h3-11,16H,1-2H3,(H,19,22,24)/b21-20+
InChIKeyHZDIIPHAEGVWBG-QZQOTICOSA-N
XLogP2.94
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.94
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-[(3-methylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[4-[(3-methylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide (CID 3850753) is N-[4-[(3-methylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[4-[(3-methylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[4-[(3-methylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide is CC(=O)NC1=NN(c2ccccc2)C(=O)C1/N=N/c1cccc(C)c1.
What is the InChIKey of N-[4-[(3-methylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide?
The InChIKey is HZDIIPHAEGVWBG-QZQOTICOSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12-7-6-8-14(11-12)20-21-16-17(19-13(2)24)22-23(18(16)25)15-9-4-3-5-10-15/h3-11,16H,1-2H3,(H,19,22,24)/b21-20+.
What are the key properties of N-[4-[(3-methylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide?
N-[4-[(3-methylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide has a molecular weight of 335.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 3850753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).