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

C21H20F3N3O2 — CID 33372039

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C21H20F3N3O2/c1-14-17(15(2)27(26-14)16-8-4-3-5-9-16)12-20(28)25-18-10-6-7-11-19(18)29-13-21(22,23)24/h3-11H,12-13H2,1-2H3,(H,25,28)
InChIKeyABWHASVPDYVXRR-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.61
Rot. Bonds6

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

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 33372039) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID33372039
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C21H20F3N3O2/c1-14-17(15(2)27(26-14)16-8-4-3-5-9-16)12-20(28)25-18-10-6-7-11-19(18)29-13-21(22,23)24/h3-11H,12-13H2,1-2H3,(H,25,28)
InChIKeyABWHASVPDYVXRR-UHFFFAOYSA-N
XLogP4.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
CID 131908651
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide
CID 55807650
N-(2-ethylsulfonylphenyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55760787
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-ethylphenyl)acetamide
CID 55736830
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide
CID 55762936
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide
CID 9403845
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-methylbenzamide
CID 55363725
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 47047946
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19282521
tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate
CID 60596060
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 71942657

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 33372039) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccccc1OCC(F)(F)F.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is ABWHASVPDYVXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-14-17(15(2)27(26-14)16-8-4-3-5-9-16)12-20(28)25-18-10-6-7-11-19(18)29-13-21(22,23)24/h3-11H,12-13H2,1-2H3,(H,25,28).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 403.40 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 33372039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).