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

C19H12F7N3O — CID 174542848

IUPAC5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
SMILESCn1nc(C(F)(F)F)c(C(=O)Nc2ccccc2-c2ccccc2C(F)(F)F)c1F
InChIInChI=1S/C19H12F7N3O/c1-29-16(20)14(15(28-29)19(24,25)26)17(30)27-13-9-5-3-7-11(13)10-6-2-4-8-12(10)18(21,22)23/h2-9H,1H3,(H,27,30)
InChIKeyFWVIUFYNFAZECU-UHFFFAOYSA-N
MW431.31 g/mol
LogP5.52
Rot. Bonds3

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

5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide (PubChem CID 174542848) has the molecular formula C19H12F7N3O and a molecular weight of 431.31 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
PubChem CID174542848
Molecular FormulaC19H12F7N3O
Molecular Weight431.31 g/mol
Exact Mass431.09
IUPAC Name5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
SMILESCn1nc(C(F)(F)F)c(C(=O)Nc2ccccc2-c2ccccc2C(F)(F)F)c1F
InChIInChI=1S/C19H12F7N3O/c1-29-16(20)14(15(28-29)19(24,25)26)17(30)27-13-9-5-3-7-11(13)10-6-2-4-8-12(10)18(21,22)23/h2-9H,1H3,(H,27,30)
InChIKeyFWVIUFYNFAZECU-UHFFFAOYSA-N
XLogP5.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.31
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 87620755
N-[2-(3,3-dimethylbutyl)phenyl]-5-fluoro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 58792449
N-(2-butylphenyl)-5-fluoro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide;methanamine
CID 174496012
N-[2-(2-ethynylphenyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 174989669
1-methyl-3-(trifluoromethyl)-5-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 174557279
N-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 150424894
[2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid
CID 69312353
5-chloro-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87474784
3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 18075195
N-[2-(5-chloro-2-fluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 68915098
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810
5-fluoro-1,3-dimethyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazole-4-carboxamide
CID 87475107

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide (CID 174542848) is 5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide is Cn1nc(C(F)(F)F)c(C(=O)Nc2ccccc2-c2ccccc2C(F)(F)F)c1F.
What is the InChIKey of 5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is FWVIUFYNFAZECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F7N3O/c1-29-16(20)14(15(28-29)19(24,25)26)17(30)27-13-9-5-3-7-11(13)10-6-2-4-8-12(10)18(21,22)23/h2-9H,1H3,(H,27,30).
What are the key properties of 5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 431.31 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 174542848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).