N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C17H20F3N3O2 — CID 47071361

IUPACN-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(C)nn(C)c2C)c(OCC(F)(F)F)c1
InChIInChI=1S/C17H20F3N3O2/c1-10-5-6-14(15(7-10)25-9-17(18,19)20)21-16(24)8-13-11(2)22-23(4)12(13)3/h5-7H,8-9H2,1-4H3,(H,21,24)
InChIKeyGAXHGWZFWALUHX-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.47
Rot. Bonds5

About N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 47071361) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID47071361
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC NameN-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(C)nn(C)c2C)c(OCC(F)(F)F)c1
InChIInChI=1S/C17H20F3N3O2/c1-10-5-6-14(15(7-10)25-9-17(18,19)20)21-16(24)8-13-11(2)22-23(4)12(13)3/h5-7H,8-9H2,1-4H3,(H,21,24)
InChIKeyGAXHGWZFWALUHX-UHFFFAOYSA-N
XLogP3.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Methoxy-phenyl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 646281
1-(2-Ethoxyphenyl)-3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-YL)ethyl]-3-methylurea
CID 16028542
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 16026477
2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 146152656
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(2-methoxyphenyl)butanamide
CID 16026629
N-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 37361221
N-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-2-phenoxyacetamide
CID 40777764
N-(3-fluoro-4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47044043
N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51099754
(2-Ethyl-5-methylpyrazol-3-yl)-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 72000442
3-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 91629547
2-[1-Methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine
CID 110095039

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 47071361) is N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1ccc(NC(=O)Cc2c(C)nn(C)c2C)c(OCC(F)(F)F)c1.
What is the InChIKey of N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is GAXHGWZFWALUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-10-5-6-14(15(7-10)25-9-17(18,19)20)21-16(24)8-13-11(2)22-23(4)12(13)3/h5-7H,8-9H2,1-4H3,(H,21,24).
What are the key properties of N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 355.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 47071361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).