N-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide

C21H14F4N4O — CID 137425538

IUPACN-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(-c2ccc3cc(C(F)(F)F)ccc3n2)cc1F
InChIInChI=1S/C21H14F4N4O/c1-29-19(8-9-26-29)20(30)28-18-6-3-13(11-15(18)22)16-5-2-12-10-14(21(23,24)25)4-7-17(12)27-16/h2-11H,1H3,(H,28,30)
InChIKeyLQDZGWSOOSYFLZ-UHFFFAOYSA-N
MW414.36 g/mol
LogP5.05
Rot. Bonds3

About N-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide

N-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide (PubChem CID 137425538) has the molecular formula C21H14F4N4O and a molecular weight of 414.36 g/mol. Its IUPAC name is N-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide
PubChem CID137425538
Molecular FormulaC21H14F4N4O
Molecular Weight414.36 g/mol
Exact Mass414.11
IUPAC NameN-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(-c2ccc3cc(C(F)(F)F)ccc3n2)cc1F
InChIInChI=1S/C21H14F4N4O/c1-29-19(8-9-26-29)20(30)28-18-6-3-13(11-15(18)22)16-5-2-12-10-14(21(23,24)25)4-7-17(12)27-16/h2-11H,1H3,(H,28,30)
InChIKeyLQDZGWSOOSYFLZ-UHFFFAOYSA-N
XLogP5.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.36
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-4-(6-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
CID 137425596
2-methyl-N-[2-methyl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]phenyl]pyrazole-3-carboxamide
CID 137425267
2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide
CID 137498224
N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 137425355
N-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
CID 137425147
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 99819963
N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129598
2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide
CID 137425322
2,4-difluoro-5-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 60829589
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 60802778
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 60802676
N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 75484643

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide (CID 137425538) is N-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(-c2ccc3cc(C(F)(F)F)ccc3n2)cc1F.
What is the InChIKey of N-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is LQDZGWSOOSYFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O/c1-29-19(8-9-26-29)20(30)28-18-6-3-13(11-15(18)22)16-5-2-12-10-14(21(23,24)25)4-7-17(12)27-16/h2-11H,1H3,(H,28,30).
What are the key properties of N-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide?
N-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 414.36 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 137425538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).