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

C19H12F7N3O — CID 87620755

IUPAC5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
SMILESCn1nc(C(F)(F)F)c(C(=O)Nc2ccccc2-c2ccc(C(F)(F)F)cc2)c1F
InChIInChI=1S/C19H12F7N3O/c1-29-16(20)14(15(28-29)19(24,25)26)17(30)27-13-5-3-2-4-12(13)10-6-8-11(9-7-10)18(21,22)23/h2-9H,1H3,(H,27,30)
InChIKeyMBKSMBWAUHBYJC-UHFFFAOYSA-N
MW431.31 g/mol
LogP5.52
Rot. Bonds3

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

5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide (PubChem CID 87620755) 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-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
PubChem CID87620755
Molecular FormulaC19H12F7N3O
Molecular Weight431.31 g/mol
Exact Mass431.09
IUPAC Name5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
SMILESCn1nc(C(F)(F)F)c(C(=O)Nc2ccccc2-c2ccc(C(F)(F)F)cc2)c1F
InChIInChI=1S/C19H12F7N3O/c1-29-16(20)14(15(28-29)19(24,25)26)17(30)27-13-5-3-2-4-12(13)10-6-8-11(9-7-10)18(21,22)23/h2-9H,1H3,(H,27,30)
InChIKeyMBKSMBWAUHBYJC-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-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 174542848
N-[2-(3,4-dichlorophenyl)phenyl]-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 150424894
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-[4-(trifluoromethyl)phenyl]phenyl]carbamate
CID 152781290
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
5-fluoro-1,3-dimethyl-N-[2-[4-(phenylmethoxyiminomethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 74067736
1-methyl-N-[2-(3-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 150231794
N-[2-(2-ethynylphenyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 174989669
N-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 21043952
5-chloro-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87474784
ethane;N-[2-[4-[(E)-methoxyiminomethyl]phenyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 142109319

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide (CID 87620755) is 5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide is Cn1nc(C(F)(F)F)c(C(=O)Nc2ccccc2-c2ccc(C(F)(F)F)cc2)c1F.
What is the InChIKey of 5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is MBKSMBWAUHBYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F7N3O/c1-29-16(20)14(15(28-29)19(24,25)26)17(30)27-13-5-3-2-4-12(13)10-6-8-11(9-7-10)18(21,22)23/h2-9H,1H3,(H,27,30).
What are the key properties of 5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide?
5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[4-(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-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 87620755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).