N-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C19H14Cl2F3N3O — CID 150424894

IUPACN-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2-c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)nn1C
InChIInChI=1S/C19H14Cl2F3N3O/c1-10-16(17(19(22,23)24)26-27(10)2)18(28)25-15-6-4-3-5-12(15)11-7-8-13(20)14(21)9-11/h3-9H,1-2H3,(H,25,28)
InChIKeyHIODCJVBGQKQMP-UHFFFAOYSA-N
MW428.24 g/mol
LogP5.97
Rot. Bonds3

About N-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 150424894) has the molecular formula C19H14Cl2F3N3O and a molecular weight of 428.24 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID150424894
Molecular FormulaC19H14Cl2F3N3O
Molecular Weight428.24 g/mol
Exact Mass427.05
IUPAC NameN-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2-c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)nn1C
InChIInChI=1S/C19H14Cl2F3N3O/c1-10-16(17(19(22,23)24)26-27(10)2)18(28)25-15-6-4-3-5-12(15)11-7-8-13(20)14(21)9-11/h3-9H,1-2H3,(H,25,28)
InChIKeyHIODCJVBGQKQMP-UHFFFAOYSA-N
XLogP5.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.24
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[dichloro(fluoro)methyl]-N-[2-(3,4-dichlorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 67374092
5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 87620755
N-[2-(3,4-dichlorophenyl)phenyl]-3-iodo-1-methylpyrazole-4-carboxamide
CID 11454250
5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 174542848
N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 174724212
1,5-dimethyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 162597470
1-methyl-N-[2-(3-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 150231794
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 86629852
5-chloro-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87474784
N-[2-(5-chloro-2-fluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 68915098
N-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide
CID 22622779
N-[2-(3,3-dimethylbutyl)phenyl]-5-fluoro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 58792449

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 150424894) is N-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2-c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)nn1C.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is HIODCJVBGQKQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F3N3O/c1-10-16(17(19(22,23)24)26-27(10)2)18(28)25-15-6-4-3-5-12(15)11-7-8-13(20)14(21)9-11/h3-9H,1-2H3,(H,25,28).
What are the key properties of N-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 428.24 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 150424894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).