N-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide

C25H23F3N4O2 — CID 118171037

IUPACN-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)Nc3c(C)nn(Cc4cccc(OC(F)(F)F)c4)c3C)c2c1
InChIInChI=1S/C25H23F3N4O2/c1-14-8-9-22-20(10-14)21(11-15(2)29-22)24(33)30-23-16(3)31-32(17(23)4)13-18-6-5-7-19(12-18)34-25(26,27)28/h5-12H,13H2,1-4H3,(H,30,33)
InChIKeySCKLTSOLNZCLQW-UHFFFAOYSA-N
MW468.48 g/mol
LogP5.86
Rot. Bonds5

About N-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide

N-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide (PubChem CID 118171037) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
PubChem CID118171037
Molecular FormulaC25H23F3N4O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC NameN-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)Nc3c(C)nn(Cc4cccc(OC(F)(F)F)c4)c3C)c2c1
InChIInChI=1S/C25H23F3N4O2/c1-14-8-9-22-20(10-14)21(11-15(2)29-22)24(33)30-23-16(3)31-32(17(23)4)13-18-6-5-7-19(12-18)34-25(26,27)28/h5-12H,13H2,1-4H3,(H,30,33)
InChIKeySCKLTSOLNZCLQW-UHFFFAOYSA-N
XLogP5.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
CID 118172418
N-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
CID 118170908
N-[1-[(3-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
CID 118171132
N-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide
CID 118171295
6-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118171898
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-bromo-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118171129
3-(difluoromethoxy)-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346556
6-chloro-4-N-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
CID 118171983
N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide
CID 82574511
2-fluoro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 39853221
6,8-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118171181
6-bromo-N-[1-[(3-cyanophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118171017

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide (CID 118171037) is N-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)Nc3c(C)nn(Cc4cccc(OC(F)(F)F)c4)c3C)c2c1.
What is the InChIKey of N-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is SCKLTSOLNZCLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c1-14-8-9-22-20(10-14)21(11-15(2)29-22)24(33)30-23-16(3)31-32(17(23)4)13-18-6-5-7-19(12-18)34-25(26,27)28/h5-12H,13H2,1-4H3,(H,30,33).
What are the key properties of N-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide?
N-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide has a molecular weight of 468.48 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 118171037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).