2-(1,3-dimethylpyrazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]quinoline-4-carboxamide

C26H21F3N6O — CID 19511891

IUPAC2-(1,3-dimethylpyrazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c2ccccc2n1
InChIInChI=1S/C26H21F3N6O/c1-16-22(15-34(2)33-16)24-11-21(20-8-3-4-9-23(20)32-24)25(36)31-19-12-30-35(14-19)13-17-6-5-7-18(10-17)26(27,28)29/h3-12,14-15H,13H2,1-2H3,(H,31,36)
InChIKeyLDLGKNYCPGCKKM-UHFFFAOYSA-N
MW490.49 g/mol
LogP5.46
Rot. Bonds5

About 2-(1,3-dimethylpyrazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]quinoline-4-carboxamide

2-(1,3-dimethylpyrazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 19511891) has the molecular formula C26H21F3N6O and a molecular weight of 490.49 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]quinoline-4-carboxamide
PubChem CID19511891
Molecular FormulaC26H21F3N6O
Molecular Weight490.49 g/mol
Exact Mass490.17
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c2ccccc2n1
InChIInChI=1S/C26H21F3N6O/c1-16-22(15-34(2)33-16)24-11-21(20-8-3-4-9-23(20)32-24)25(36)31-19-12-30-35(14-19)13-17-6-5-7-18(10-17)26(27,28)29/h3-12,14-15H,13H2,1-2H3,(H,31,36)
InChIKeyLDLGKNYCPGCKKM-UHFFFAOYSA-N
XLogP5.46
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.49
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-dimethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide
CID 19511893
2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346909
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512495
N-(4-acetamidophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511719
4-iodo-1-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262047
2-(1-ethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
CID 19518695
5-naphthalen-1-yl-7-(trifluoromethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19461927
2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-3-carboxamide
CID 35761745
N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511727
4-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346921
1,3-diphenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19281381
dimethyl 5-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19511697

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]quinoline-4-carboxamide (CID 19511891) is 2-(1,3-dimethylpyrazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]quinoline-4-carboxamide is Cc1nn(C)cc1-c1cc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c2ccccc2n1.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is LDLGKNYCPGCKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O/c1-16-22(15-34(2)33-16)24-11-21(20-8-3-4-9-23(20)32-24)25(36)31-19-12-30-35(14-19)13-17-6-5-7-18(10-17)26(27,28)29/h3-12,14-15H,13H2,1-2H3,(H,31,36).
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]quinoline-4-carboxamide?
2-(1,3-dimethylpyrazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 490.49 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 19511891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).