2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C15H17F2N3O2 — CID 30183967

IUPAC2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H17F2N3O2/c1-10(2)20-13(7-8-18-20)19-14(21)9-11-3-5-12(6-4-11)22-15(16)17/h3-8,10,15H,9H2,1-2H3,(H,19,21)
InChIKeyZPDWLWZOKLCILJ-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.25
Rot. Bonds6

About 2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 30183967) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID30183967
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H17F2N3O2/c1-10(2)20-13(7-8-18-20)19-14(21)9-11-3-5-12(6-4-11)22-15(16)17/h3-8,10,15H,9H2,1-2H3,(H,19,21)
InChIKeyZPDWLWZOKLCILJ-UHFFFAOYSA-N
XLogP3.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 78848125
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide
CID 95615142
2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097280
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30182310
N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide
CID 30183297
N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094
2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097263
N-(2-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 30183310
2-[4-(difluoromethoxy)phenyl]-N-(4-methylphenyl)acetamide
CID 33142215
2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612742
3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186728

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 30183967) is 2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is ZPDWLWZOKLCILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-10(2)20-13(7-8-18-20)19-14(21)9-11-3-5-12(6-4-11)22-15(16)17/h3-8,10,15H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 309.32 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 30183967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).