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

C18H17N5O2 — CID 3836550

IUPACN-[4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2N=C(C)C(/N=N/c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H17N5O2/c1-12-17(21-20-15-6-4-3-5-7-15)18(25)23(22-12)16-10-8-14(9-11-16)19-13(2)24/h3-11,17H,1-2H3,(H,19,24)/b21-20+
InChIKeyCWPUTESRMBVLGF-QZQOTICOSA-N
MW335.37 g/mol
LogP3.52
Rot. Bonds4

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

N-[4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)phenyl]acetamide (PubChem CID 3836550) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)phenyl]acetamide
PubChem CID3836550
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2N=C(C)C(/N=N/c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H17N5O2/c1-12-17(21-20-15-6-4-3-5-7-15)18(25)23(22-12)16-10-8-14(9-11-16)19-13(2)24/h3-11,17H,1-2H3,(H,19,24)/b21-20+
InChIKeyCWPUTESRMBVLGF-QZQOTICOSA-N
XLogP3.52
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)phenyl]acetamide (CID 3836550) is N-[4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(N2N=C(C)C(/N=N/c3ccccc3)C2=O)cc1.
What is the InChIKey of N-[4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)phenyl]acetamide?
The InChIKey is CWPUTESRMBVLGF-QZQOTICOSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12-17(21-20-15-6-4-3-5-7-15)18(25)23(22-12)16-10-8-14(9-11-16)19-13(2)24/h3-11,17H,1-2H3,(H,19,24)/b21-20+.
What are the key properties of N-[4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)phenyl]acetamide?
N-[4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)phenyl]acetamide has a molecular weight of 335.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 3836550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).