N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C17H9F6N3O — CID 31786455

IUPACN-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F
InChIInChI=1S/C17H9F6N3O/c18-9-1-4-11(5-2-9)26-15(17(21,22)23)12(8-24-26)16(27)25-10-3-6-13(19)14(20)7-10/h1-8H,(H,25,27)
InChIKeyYAYVSXHEJOMOOJ-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.56
Rot. Bonds3

About N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 31786455) has the molecular formula C17H9F6N3O and a molecular weight of 385.27 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID31786455
Molecular FormulaC17H9F6N3O
Molecular Weight385.27 g/mol
Exact Mass385.06
IUPAC NameN-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F
InChIInChI=1S/C17H9F6N3O/c18-9-1-4-11(5-2-9)26-15(17(21,22)23)12(8-24-26)16(27)25-10-3-6-13(19)14(20)7-10/h1-8H,(H,25,27)
InChIKeyYAYVSXHEJOMOOJ-UHFFFAOYSA-N
XLogP4.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31784434
1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18228961
N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579165
N-(4-fluorophenyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 31695234
N-(3-acetamidophenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18270790
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55817606
N-[3-(carbamoylamino)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91135448
1-(4-chlorophenyl)-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46827913
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285027
1-(3-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 38631034
methyl N-[4-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]carbamate
CID 55804670

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 31786455) is N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F.
What is the InChIKey of N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is YAYVSXHEJOMOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F6N3O/c18-9-1-4-11(5-2-9)26-15(17(21,22)23)12(8-24-26)16(27)25-10-3-6-13(19)14(20)7-10/h1-8H,(H,25,27).
What are the key properties of N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 385.27 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 31786455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).