N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C18H10BrF6N3O — CID 24665224

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C18H10BrF6N3O/c19-14-7-6-10(8-13(14)17(20,21)22)27-16(29)12-9-26-28(15(12)18(23,24)25)11-4-2-1-3-5-11/h1-9H,(H,27,29)
InChIKeyIFVGJHLBGZLGIO-UHFFFAOYSA-N
MW478.19 g/mol
LogP5.92
Rot. Bonds3

About N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 24665224) has the molecular formula C18H10BrF6N3O and a molecular weight of 478.19 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID24665224
Molecular FormulaC18H10BrF6N3O
Molecular Weight478.19 g/mol
Exact Mass476.99
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C18H10BrF6N3O/c19-14-7-6-10(8-13(14)17(20,21)22)27-16(29)12-9-26-28(15(12)18(23,24)25)11-4-2-1-3-5-11/h1-9H,(H,27,29)
InChIKeyIFVGJHLBGZLGIO-UHFFFAOYSA-N
XLogP5.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.19
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579165
N-(4-bromo-3-methylphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31784434
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928
N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18229003
N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31786455
N-(4-methyl-2-oxochromen-7-yl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579201
N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 11384552
5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122189927
1-(4-methoxyphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 141265511
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide
CID 60630150
N-(4-fluorophenyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 31695234

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 24665224) is N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is IFVGJHLBGZLGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrF6N3O/c19-14-7-6-10(8-13(14)17(20,21)22)27-16(29)12-9-26-28(15(12)18(23,24)25)11-4-2-1-3-5-11/h1-9H,(H,27,29).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 478.19 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 24665224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).