N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide

C21H20F3N3O2 — CID 19335829

IUPACN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C21H20F3N3O2/c1-14-19(15(2)27(26-14)12-16-7-4-3-5-8-16)25-20(28)17-9-6-10-18(11-17)29-13-21(22,23)24/h3-11H,12-13H2,1-2H3,(H,25,28)
InChIKeyLLIYSYRFXDPKEL-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.74
Rot. Bonds6

About N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 19335829) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
PubChem CID19335829
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C21H20F3N3O2/c1-14-19(15(2)27(26-14)12-16-7-4-3-5-8-16)25-20(28)17-9-6-10-18(11-17)29-13-21(22,23)24/h3-11H,12-13H2,1-2H3,(H,25,28)
InChIKeyLLIYSYRFXDPKEL-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19411918
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-methoxybenzamide
CID 19394052
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide
CID 19335776
3-(difluoromethoxy)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19404224
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19335847
3-(difluoromethoxy)-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346556
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(trifluoromethyl)benzamide
CID 19409804
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(difluoromethoxy)benzamide
CID 19411853
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide
CID 35524107
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-methoxynaphthalene-2-carboxamide
CID 167835152
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19408425
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55607454

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide (CID 19335829) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide is Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cccc(OCC(F)(F)F)c1.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is LLIYSYRFXDPKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-14-19(15(2)27(26-14)12-16-7-4-3-5-8-16)25-20(28)17-9-6-10-18(11-17)29-13-21(22,23)24/h3-11H,12-13H2,1-2H3,(H,25,28).
What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide?
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 403.40 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 19335829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).