N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H18F3N3O2 — CID 71985913

IUPACN-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCc1c(F)cccc1OC(F)F
InChIInChI=1S/C16H18F3N3O2/c1-9-11(10(2)22(3)21-9)7-15(23)20-8-12-13(17)5-4-6-14(12)24-16(18)19/h4-6,16H,7-8H2,1-3H3,(H,20,23)
InChIKeyZLDSKEMGFYYAGA-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.64
Rot. Bonds6

About N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 71985913) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID71985913
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC NameN-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCc1c(F)cccc1OC(F)F
InChIInChI=1S/C16H18F3N3O2/c1-9-11(10(2)22(3)21-9)7-15(23)20-8-12-13(17)5-4-6-14(12)24-16(18)19/h4-6,16H,7-8H2,1-3H3,(H,20,23)
InChIKeyZLDSKEMGFYYAGA-UHFFFAOYSA-N
XLogP2.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 110474855
N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 131963721
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18207459
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide
CID 71985921
2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 110731154
3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79231656
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1H-pyrazole-5-carboxamide
CID 71985919
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111540945
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55756579
N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24663985
N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 93033990
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 99829147

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 71985913) is N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCc1c(F)cccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is ZLDSKEMGFYYAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-9-11(10(2)22(3)21-9)7-15(23)20-8-12-13(17)5-4-6-14(12)24-16(18)19/h4-6,16H,7-8H2,1-3H3,(H,20,23).
What are the key properties of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 341.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 71985913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).