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

C21H20F3N3O2 — CID 19282521

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C21H20F3N3O2/c1-14-19(15(2)27(26-14)17-8-4-3-5-9-17)12-25-20(28)16-7-6-10-18(11-16)29-13-21(22,23)24/h3-11H,12-13H2,1-2H3,(H,25,28)
InChIKeyZQMVAWIFNNDOAH-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.36
Rot. Bonds6

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

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 19282521) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
PubChem CID19282521
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C21H20F3N3O2/c1-14-19(15(2)27(26-14)17-8-4-3-5-9-17)12-25-20(28)16-7-6-10-18(11-16)29-13-21(22,23)24/h3-11H,12-13H2,1-2H3,(H,25,28)
InChIKeyZQMVAWIFNNDOAH-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxy-4-methylbenzamide
CID 8531518
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19329009
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-fluoro-4-methylbenzamide
CID 8531507
3-[(2,4-difluorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 19282537
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55607454
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(ethylsulfamoyl)benzamide
CID 134034024
5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 134013910
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19333252
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24516009
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 19335829
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19323105
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-3-nitrobenzamide
CID 24549001

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide (CID 19282521) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cccc(OCC(F)(F)F)c1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is ZQMVAWIFNNDOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-14-19(15(2)27(26-14)17-8-4-3-5-9-17)12-25-20(28)16-7-6-10-18(11-16)29-13-21(22,23)24/h3-11H,12-13H2,1-2H3,(H,25,28).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 403.40 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 19282521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).