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

C24H21F3N4O3 — CID 118171295

IUPACN-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide
SMILESCOc1cc(C(=O)Nc2c(C)nn(Cc3ccc(OC(F)(F)F)cc3)c2C)c2ccccc2n1
InChIInChI=1S/C24H21F3N4O3/c1-14-22(29-23(32)19-12-21(33-3)28-20-7-5-4-6-18(19)20)15(2)31(30-14)13-16-8-10-17(11-9-16)34-24(25,26)27/h4-12H,13H2,1-3H3,(H,29,32)
InChIKeySRLQLYHUUIYHQV-UHFFFAOYSA-N
MW470.45 g/mol
LogP5.26
Rot. Bonds6

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

N-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide (PubChem CID 118171295) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide
PubChem CID118171295
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC NameN-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide
SMILESCOc1cc(C(=O)Nc2c(C)nn(Cc3ccc(OC(F)(F)F)cc3)c2C)c2ccccc2n1
InChIInChI=1S/C24H21F3N4O3/c1-14-22(29-23(32)19-12-21(33-3)28-20-7-5-4-6-18(19)20)15(2)31(30-14)13-16-8-10-17(11-9-16)34-24(25,26)27/h4-12H,13H2,1-3H3,(H,29,32)
InChIKeySRLQLYHUUIYHQV-UHFFFAOYSA-N
XLogP5.26
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.45
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide
CID 118171866
N-[3,5-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide
CID 118171502
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-phenylquinoline-4-carboxamide
CID 1236021
6,8-dichloro-N-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118171304
6-chloro-4-N-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
CID 118171983
4-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118191373
N-[3,5-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
CID 118171037
2-bromo-N-[1-[(4-cyanophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide
CID 118171425
4-N-[1-[(4-acetylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 140770531
4-N-[1-[3-(4-methoxyphenyl)propyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118191382
5-methyl-4-N-[5-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 126562297
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-methoxynaphthalene-2-carboxamide
CID 167835152

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide?
The IUPAC name of N-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide (CID 118171295) is N-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide.
What is the SMILES notation for N-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide?
The canonical SMILES for N-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide is COc1cc(C(=O)Nc2c(C)nn(Cc3ccc(OC(F)(F)F)cc3)c2C)c2ccccc2n1.
What is the InChIKey of N-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide?
The InChIKey is SRLQLYHUUIYHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c1-14-22(29-23(32)19-12-21(33-3)28-20-7-5-4-6-18(19)20)15(2)31(30-14)13-16-8-10-17(11-9-16)34-24(25,26)27/h4-12H,13H2,1-3H3,(H,29,32).
What are the key properties of N-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide?
N-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide has a molecular weight of 470.45 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide is sourced from PubChem (CID 118171295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).