N'-[2-(4-fluorophenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide

C14H12F4N4O3 — CID 4847088

IUPACN'-[2-(4-fluorophenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESO=C(COc1ccc(F)cc1)NNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H12F4N4O3/c15-9-1-3-10(4-2-9)25-8-13(24)20-19-12(23)7-22-6-5-11(21-22)14(16,17)18/h1-6H,7-8H2,(H,19,23)(H,20,24)
InChIKeyANWDIRACQZZRLU-UHFFFAOYSA-N
MW360.27 g/mol
LogP1.27
Rot. Bonds5

About N'-[2-(4-fluorophenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide

N'-[2-(4-fluorophenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide (PubChem CID 4847088) has the molecular formula C14H12F4N4O3 and a molecular weight of 360.27 g/mol. Its IUPAC name is N'-[2-(4-fluorophenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
PubChem CID4847088
Molecular FormulaC14H12F4N4O3
Molecular Weight360.27 g/mol
Exact Mass360.08
IUPAC NameN'-[2-(4-fluorophenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESO=C(COc1ccc(F)cc1)NNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H12F4N4O3/c15-9-1-3-10(4-2-9)25-8-13(24)20-19-12(23)7-22-6-5-11(21-22)14(16,17)18/h1-6H,7-8H2,(H,19,23)(H,20,24)
InChIKeyANWDIRACQZZRLU-UHFFFAOYSA-N
XLogP1.27
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 51.27
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 N'-[2-(4-fluorophenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The IUPAC name of N'-[2-(4-fluorophenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide (CID 4847088) is N'-[2-(4-fluorophenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide is O=C(COc1ccc(F)cc1)NNC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N'-[2-(4-fluorophenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The InChIKey is ANWDIRACQZZRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N4O3/c15-9-1-3-10(4-2-9)25-8-13(24)20-19-12(23)7-22-6-5-11(21-22)14(16,17)18/h1-6H,7-8H2,(H,19,23)(H,20,24).
What are the key properties of N'-[2-(4-fluorophenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
N'-[2-(4-fluorophenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide has a molecular weight of 360.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide is sourced from PubChem (CID 4847088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).