2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide

C20H18F3N3O — CID 19346909

IUPAC2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c(C)c1
InChIInChI=1S/C20H18F3N3O/c1-13-6-7-18(14(2)8-13)19(27)25-17-10-24-26(12-17)11-15-4-3-5-16(9-15)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,25,27)
InChIKeyFEDAHEVDXTXFOO-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.82
Rot. Bonds4

About 2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide

2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide (PubChem CID 19346909) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
PubChem CID19346909
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c(C)c1
InChIInChI=1S/C20H18F3N3O/c1-13-6-7-18(14(2)8-13)19(27)25-17-10-24-26(12-17)11-15-4-3-5-16(9-15)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,25,27)
InChIKeyFEDAHEVDXTXFOO-UHFFFAOYSA-N
XLogP4.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-3-carboxamide
CID 35761745
2,4-dichloro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346965
4-chloro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346964
2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336310
4-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346921
2,2,2-trifluoro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19346859
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 19404033
N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414620
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346889
4-iodo-1-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262047
2,5-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 5258146
2-(1,3-dimethylpyrazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]quinoline-4-carboxamide
CID 19511891

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide (CID 19346909) is 2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide?
The InChIKey is FEDAHEVDXTXFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-13-6-7-18(14(2)8-13)19(27)25-17-10-24-26(12-17)11-15-4-3-5-16(9-15)20(21,22)23/h3-10,12H,11H2,1-2H3,(H,25,27).
What are the key properties of 2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide?
2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide has a molecular weight of 373.38 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19346909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).