2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide

C15H17FN4O3 — CID 7780028

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)COc2ccccc2F)n1
InChIInChI=1S/C15H17FN4O3/c1-10-7-11(2)20(19-10)8-14(21)17-18-15(22)9-23-13-6-4-3-5-12(13)16/h3-7H,8-9H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyWWOIXBOGLCLSJB-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.87
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide

2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide (PubChem CID 7780028) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
PubChem CID7780028
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)COc2ccccc2F)n1
InChIInChI=1S/C15H17FN4O3/c1-10-7-11(2)20(19-10)8-14(21)17-18-15(22)9-23-13-6-4-3-5-12(13)16/h3-7H,8-9H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyWWOIXBOGLCLSJB-UHFFFAOYSA-N
XLogP0.87
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide (CID 7780028) is 2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide is Cc1cc(C)n(CC(=O)NNC(=O)COc2ccccc2F)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide?
The InChIKey is WWOIXBOGLCLSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3/c1-10-7-11(2)20(19-10)8-14(21)17-18-15(22)9-23-13-6-4-3-5-12(13)16/h3-7H,8-9H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide?
2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide has a molecular weight of 320.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 7780028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).