1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide

C19H13F6N3O — CID 174557279

IUPAC1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
SMILESCn1nc(C(F)(F)F)c(C(N)=O)c1-c1ccccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H13F6N3O/c1-28-15(14(17(26)29)16(27-28)19(23,24)25)12-8-3-2-6-10(12)11-7-4-5-9-13(11)18(20,21)22/h2-9H,1H3,(H2,26,29)
InChIKeyJFMGOCCPOIDECH-UHFFFAOYSA-N
MW413.32 g/mol
LogP4.89
Rot. Bonds3

About 1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide

1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide (PubChem CID 174557279) has the molecular formula C19H13F6N3O and a molecular weight of 413.32 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
PubChem CID174557279
Molecular FormulaC19H13F6N3O
Molecular Weight413.32 g/mol
Exact Mass413.10
IUPAC Name1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
SMILESCn1nc(C(F)(F)F)c(C(N)=O)c1-c1ccccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H13F6N3O/c1-28-15(14(17(26)29)16(27-28)19(23,24)25)12-8-3-2-6-10(12)11-7-4-5-9-13(11)18(20,21)22/h2-9H,1H3,(H2,26,29)
InChIKeyJFMGOCCPOIDECH-UHFFFAOYSA-N
XLogP4.89
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 174542849
5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 68570369
3-(difluoromethyl)-1-methyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 174542921
5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 174542848
1,3-dimethyl-5-[2-phenyl-6-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 174542850
5-[2-(4-chlorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-fluoro-3-(4-fluorophenyl)benzene
CID 158174758
5-[2-(3,4-dichlorophenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole
CID 161408069
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
1-methyl-5-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 151575935
5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 175074764
methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635594
5-chloro-1-methyl-N,N-diphenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 139722098

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide (CID 174557279) is 1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide is Cn1nc(C(F)(F)F)c(C(N)=O)c1-c1ccccc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is JFMGOCCPOIDECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6N3O/c1-28-15(14(17(26)29)16(27-28)19(23,24)25)12-8-3-2-6-10(12)11-7-4-5-9-13(11)18(20,21)22/h2-9H,1H3,(H2,26,29).
What are the key properties of 1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 413.32 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 174557279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).