1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide

C24H20F3N3O2 — CID 1053837

IUPAC1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccco3)cc2C(=O)NCc2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C24H20F3N3O2/c1-15-8-9-20(16(2)11-15)30-21(13-19(29-30)22-7-4-10-32-22)23(31)28-14-17-5-3-6-18(12-17)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,31)
InChIKeyYTVVJTGYZITYRN-UHFFFAOYSA-N
MW439.44 g/mol
LogP5.70
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide

1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide (PubChem CID 1053837) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
PubChem CID1053837
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccco3)cc2C(=O)NCc2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C24H20F3N3O2/c1-15-8-9-20(16(2)11-15)30-21(13-19(29-30)22-7-4-10-32-22)23(31)28-14-17-5-3-6-18(12-17)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,31)
InChIKeyYTVVJTGYZITYRN-UHFFFAOYSA-N
XLogP5.70
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053621
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 1053825
1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42754871
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053783
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
CID 1053790
N-butyl-1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 4003285
3-(furan-2-yl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053382
2-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749451
N-tert-butyl-1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762329
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 3661640
1-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762072
3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
CID 3661667

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide (CID 1053837) is 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide is Cc1ccc(-n2nc(-c3ccco3)cc2C(=O)NCc2cccc(C(F)(F)F)c2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide?
The InChIKey is YTVVJTGYZITYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c1-15-8-9-20(16(2)11-15)30-21(13-19(29-30)22-7-4-10-32-22)23(31)28-14-17-5-3-6-18(12-17)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,31).
What are the key properties of 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide?
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide has a molecular weight of 439.44 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 1053837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).