N-[3-acetamido-4-[(2-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]acetamide

C13H13FN6O2 — CID 162739685

IUPACN-[3-acetamido-4-[(2-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1n[nH]c(NC(C)=O)c1/N=N/c1ccccc1F
InChIInChI=1S/C13H13FN6O2/c1-7(21)15-12-11(13(20-19-12)16-8(2)22)18-17-10-6-4-3-5-9(10)14/h3-6H,1-2H3,(H3,15,16,19,20,21,22)/b18-17+
InChIKeyJHAPRMZOATZQMB-ISLYRVAYSA-N
MW304.29 g/mol
LogP2.88
Rot. Bonds4

About N-[3-acetamido-4-[(2-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]acetamide

N-[3-acetamido-4-[(2-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]acetamide (PubChem CID 162739685) has the molecular formula C13H13FN6O2 and a molecular weight of 304.29 g/mol. Its IUPAC name is N-[3-acetamido-4-[(2-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-acetamido-4-[(2-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]acetamide
PubChem CID162739685
Molecular FormulaC13H13FN6O2
Molecular Weight304.29 g/mol
Exact Mass304.11
IUPAC NameN-[3-acetamido-4-[(2-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1n[nH]c(NC(C)=O)c1/N=N/c1ccccc1F
InChIInChI=1S/C13H13FN6O2/c1-7(21)15-12-11(13(20-19-12)16-8(2)22)18-17-10-6-4-3-5-9(10)14/h3-6H,1-2H3,(H3,15,16,19,20,21,22)/b18-17+
InChIKeyJHAPRMZOATZQMB-ISLYRVAYSA-N
XLogP2.88
TPSA111.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.88
H-Bond Donors ≤ 53
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-[3-acetamido-4-[(2-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]acetamide?
The IUPAC name of N-[3-acetamido-4-[(2-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]acetamide (CID 162739685) is N-[3-acetamido-4-[(2-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[3-acetamido-4-[(2-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]acetamide?
The canonical SMILES for N-[3-acetamido-4-[(2-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]acetamide is CC(=O)Nc1n[nH]c(NC(C)=O)c1/N=N/c1ccccc1F.
What is the InChIKey of N-[3-acetamido-4-[(2-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]acetamide?
The InChIKey is JHAPRMZOATZQMB-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H13FN6O2/c1-7(21)15-12-11(13(20-19-12)16-8(2)22)18-17-10-6-4-3-5-9(10)14/h3-6H,1-2H3,(H3,15,16,19,20,21,22)/b18-17+.
What are the key properties of N-[3-acetamido-4-[(2-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]acetamide?
N-[3-acetamido-4-[(2-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]acetamide has a molecular weight of 304.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-4-[(2-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]acetamide is sourced from PubChem (CID 162739685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).