5-methyl-N-quinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C21H15F3N4O — CID 10430847

IUPAC5-methyl-N-quinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc3ncccc23)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N4O/c1-13-11-19(27-28(13)15-6-2-5-14(12-15)21(22,23)24)20(29)26-18-9-3-8-17-16(18)7-4-10-25-17/h2-12H,1H3,(H,26,29)
InChIKeyQKBBWAFNMUOVAZ-UHFFFAOYSA-N
MW396.37 g/mol
LogP5.00
Rot. Bonds3

About 5-methyl-N-quinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

5-methyl-N-quinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 10430847) has the molecular formula C21H15F3N4O and a molecular weight of 396.37 g/mol. Its IUPAC name is 5-methyl-N-quinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-quinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID10430847
Molecular FormulaC21H15F3N4O
Molecular Weight396.37 g/mol
Exact Mass396.12
IUPAC Name5-methyl-N-quinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc3ncccc23)nn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N4O/c1-13-11-19(27-28(13)15-6-2-5-14(12-15)21(22,23)24)20(29)26-18-9-3-8-17-16(18)7-4-10-25-17/h2-12H,1H3,(H,26,29)
InChIKeyQKBBWAFNMUOVAZ-UHFFFAOYSA-N
XLogP5.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.37
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
Safimaltib
CID 134609793
c-Met Inhibitor D6808
CID 165437862
Quinoline derivative 6
CID 89554734
4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 117641885
N-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzamide
CID 165430631
1-Methyl-1H-pyrazolo[3,4-alpha]phenazine-10-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 9946290
4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide
CID 53316426
(+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-3-yl)propyl)-2-fluorophenyl)-1-(3-(aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118355646
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660845
Bay-588
CID 124203924

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-quinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-quinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 10430847) is 5-methyl-N-quinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-quinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-quinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc3ncccc23)nn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methyl-N-quinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is QKBBWAFNMUOVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O/c1-13-11-19(27-28(13)15-6-2-5-14(12-15)21(22,23)24)20(29)26-18-9-3-8-17-16(18)7-4-10-25-17/h2-12H,1H3,(H,26,29).
What are the key properties of 5-methyl-N-quinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
5-methyl-N-quinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-quinolin-5-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 10430847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).