6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide

C37H32F6N8O2 — CID 158633225

IUPAC6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(-c2cc(C(F)(F)F)n(-c3ccccc3)n2)ccn1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2Cc2ccccc2)n1
InChIInChI=1S/C19H17F3N4O.C18H15F3N4O/c1-25(2)18(27)15-10-6-9-14(23-15)16-11-17(19(20,21)22)24-26(16)12-13-7-4-3-5-8-13;1-24(2)17(26)15-10-12(8-9-22-15)14-11-16(18(19,20)21)25(23-14)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3;3-11H,1-2H3
InChIKeyHZLIJBXLGBNGRS-UHFFFAOYSA-N
MW734.71 g/mol
LogP7.37
Rot. Bonds7

About 6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide

6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 158633225) has the molecular formula C37H32F6N8O2 and a molecular weight of 734.71 g/mol. Its IUPAC name is 6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide
PubChem CID158633225
Molecular FormulaC37H32F6N8O2
Molecular Weight734.71 g/mol
Exact Mass734.26
IUPAC Name6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(-c2cc(C(F)(F)F)n(-c3ccccc3)n2)ccn1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2Cc2ccccc2)n1
InChIInChI=1S/C19H17F3N4O.C18H15F3N4O/c1-25(2)18(27)15-10-6-9-14(23-15)16-11-17(19(20,21)22)24-26(16)12-13-7-4-3-5-8-13;1-24(2)17(26)15-10-12(8-9-22-15)14-11-16(18(19,20)21)25(23-14)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3;3-11H,1-2H3
InChIKeyHZLIJBXLGBNGRS-UHFFFAOYSA-N
XLogP7.37
TPSA102.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.71
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 57400053
N-Pyridin-4-yl-4-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-benzamide
CID 17748340
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389637
N-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389884
7-Ethyl-3-(2-methylpyridin-4-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 117821004
(7S)-7-methyl-3-(2-methylpyridin-4-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 117824335
US9951086, Example 30
CID 118172870
US9951086, Example 28
CID 118172944
US9951086, Example 1
CID 118172966
US9951086, Example 87
CID 118173145
(3,3-Difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone
CID 118660717
azetidin-1-yl(8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)methanone
CID 118660778

Frequently Asked Questions

What is the IUPAC name of 6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide (CID 158633225) is 6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide is CN(C)C(=O)c1cc(-c2cc(C(F)(F)F)n(-c3ccccc3)n2)ccn1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2Cc2ccccc2)n1.
What is the InChIKey of 6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide?
The InChIKey is HZLIJBXLGBNGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O.C18H15F3N4O/c1-25(2)18(27)15-10-6-9-14(23-15)16-11-17(19(20,21)22)24-26(16)12-13-7-4-3-5-8-13;1-24(2)17(26)15-10-12(8-9-22-15)14-11-16(18(19,20)21)25(23-14)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3;3-11H,1-2H3.
What are the key properties of 6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide?
6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 734.71 g/mol, XLogP of 7.37, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158633225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).