N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide

C24H27F3N4O2 — CID 24665168

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN(C)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C24H27F3N4O2/c1-17-21(18(2)31(29-17)14-19-9-5-4-6-10-19)13-28-23(32)16-30(3)15-20-11-7-8-12-22(20)33-24(25,26)27/h4-12H,13-16H2,1-3H3,(H,28,32)
InChIKeyGPHFDDXHCXOIJD-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.20
Rot. Bonds9

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide (PubChem CID 24665168) has the molecular formula C24H27F3N4O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
PubChem CID24665168
Molecular FormulaC24H27F3N4O2
Molecular Weight460.50 g/mol
Exact Mass460.21
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN(C)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C24H27F3N4O2/c1-17-21(18(2)31(29-17)14-19-9-5-4-6-10-19)13-28-23(32)16-30(3)15-20-11-7-8-12-22(20)33-24(25,26)27/h4-12H,13-16H2,1-3H3,(H,28,32)
InChIKeyGPHFDDXHCXOIJD-UHFFFAOYSA-N
XLogP4.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 24566118
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 24565669
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110883026
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 24566382
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide
CID 18129608
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 51278295
2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide
CID 55741405
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24566367
[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate
CID 36734127
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide (CID 24665168) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN(C)Cc1ccccc1OC(F)(F)F.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
The InChIKey is GPHFDDXHCXOIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O2/c1-17-21(18(2)31(29-17)14-19-9-5-4-6-10-19)13-28-23(32)16-30(3)15-20-11-7-8-12-22(20)33-24(25,26)27/h4-12H,13-16H2,1-3H3,(H,28,32).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide has a molecular weight of 460.50 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 24665168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).