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

C19H14F5N3O — CID 174542921

IUPAC3-(difluoromethyl)-1-methyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(N)=O)c1-c1ccccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H14F5N3O/c1-27-16(14(18(25)28)15(26-27)17(20)21)12-8-3-2-6-10(12)11-7-4-5-9-13(11)19(22,23)24/h2-9,17H,1H3,(H2,25,28)
InChIKeyQJMVFDBHOCPKNG-UHFFFAOYSA-N
MW395.33 g/mol
LogP4.81
Rot. Bonds4

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

3-(difluoromethyl)-1-methyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide (PubChem CID 174542921) has the molecular formula C19H14F5N3O and a molecular weight of 395.33 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
PubChem CID174542921
Molecular FormulaC19H14F5N3O
Molecular Weight395.33 g/mol
Exact Mass395.11
IUPAC Name3-(difluoromethyl)-1-methyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(N)=O)c1-c1ccccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H14F5N3O/c1-27-16(14(18(25)28)15(26-27)17(20)21)12-8-3-2-6-10(12)11-7-4-5-9-13(11)19(22,23)24/h2-9,17H,1H3,(H2,25,28)
InChIKeyQJMVFDBHOCPKNG-UHFFFAOYSA-N
XLogP4.81
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 174557279
1,3-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 174542849
3-(difluoromethyl)-1-methyl-5-[2-(4,4,5-trifluorocyclohexa-1,5-dien-1-yl)phenyl]pyrazole-4-carboxamide
CID 90165051
5-[2-(2,3-difluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 68570369
1,3-dimethyl-5-[2-phenyl-6-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 174542850
5-benzyl-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 174896670
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 174542848
N-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(difluoromethyl)-1-methyl-5-phenylpyrazole-4-carboxamide
CID 175866434
2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 69461429
5-[2-(2-chlorophenyl)-4-fluorophenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 175074764
4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]bicyclo[2.2.2]octane-1-carboxamide
CID 20755040

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide (CID 174542921) is 3-(difluoromethyl)-1-methyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide is Cn1nc(C(F)F)c(C(N)=O)c1-c1ccccc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is QJMVFDBHOCPKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N3O/c1-27-16(14(18(25)28)15(26-27)17(20)21)12-8-3-2-6-10(12)11-7-4-5-9-13(11)19(22,23)24/h2-9,17H,1H3,(H2,25,28).
What are the key properties of 3-(difluoromethyl)-1-methyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 395.33 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 174542921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).