3-(2-methylphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]quinoline-7-carboxamide

C22H17F3N4O — CID 155288006

IUPAC3-(2-methylphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]quinoline-7-carboxamide
SMILESCc1ccccc1-c1cnc2cc(C(=O)Nc3cc(C(F)(F)F)nn3C)ccc2c1
InChIInChI=1S/C22H17F3N4O/c1-13-5-3-4-6-17(13)16-9-14-7-8-15(10-18(14)26-12-16)21(30)27-20-11-19(22(23,24)25)28-29(20)2/h3-12H,1-2H3,(H,27,30)
InChIKeyXZDNBWITMYKLDI-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.21
Rot. Bonds3

About 3-(2-methylphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]quinoline-7-carboxamide

3-(2-methylphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]quinoline-7-carboxamide (PubChem CID 155288006) has the molecular formula C22H17F3N4O and a molecular weight of 410.40 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]quinoline-7-carboxamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]quinoline-7-carboxamide
PubChem CID155288006
Molecular FormulaC22H17F3N4O
Molecular Weight410.40 g/mol
Exact Mass410.14
IUPAC Name3-(2-methylphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]quinoline-7-carboxamide
SMILESCc1ccccc1-c1cnc2cc(C(=O)Nc3cc(C(F)(F)F)nn3C)ccc2c1
InChIInChI=1S/C22H17F3N4O/c1-13-5-3-4-6-17(13)16-9-14-7-8-15(10-18(14)26-12-16)21(30)27-20-11-19(22(23,24)25)28-29(20)2/h3-12H,1-2H3,(H,27,30)
InChIKeyXZDNBWITMYKLDI-UHFFFAOYSA-N
XLogP5.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide
CID 155287878
N-[3-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]quinoline-7-carboxamide
CID 164806019
N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 58487388
N-(2,5-dimethylpyrazol-3-yl)-2-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 134806315
2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 169091207
2-(4-chloro-2-methylanilino)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 169091173
1-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-6-oxopyridine-3-carboxamide
CID 95935310
4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide
CID 58487503
3-phenylquinoline-7-carboxylic acid
CID 68924560
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 58486832
N-[3-(2-aminoquinolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 59437987
2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide
CID 137498224

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]quinoline-7-carboxamide?
The IUPAC name of 3-(2-methylphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]quinoline-7-carboxamide (CID 155288006) is 3-(2-methylphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]quinoline-7-carboxamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]quinoline-7-carboxamide?
The canonical SMILES for 3-(2-methylphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]quinoline-7-carboxamide is Cc1ccccc1-c1cnc2cc(C(=O)Nc3cc(C(F)(F)F)nn3C)ccc2c1.
What is the InChIKey of 3-(2-methylphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]quinoline-7-carboxamide?
The InChIKey is XZDNBWITMYKLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O/c1-13-5-3-4-6-17(13)16-9-14-7-8-15(10-18(14)26-12-16)21(30)27-20-11-19(22(23,24)25)28-29(20)2/h3-12H,1-2H3,(H,27,30).
What are the key properties of 3-(2-methylphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]quinoline-7-carboxamide?
3-(2-methylphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]quinoline-7-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]quinoline-7-carboxamide is sourced from PubChem (CID 155288006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).