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

C20H14F2N4O — CID 137425596

IUPACN-[2-fluoro-4-(6-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(-c2ccc3cc(F)ccc3n2)cc1F
InChIInChI=1S/C20H14F2N4O/c1-26-19(8-9-23-26)20(27)25-18-6-3-13(11-15(18)22)16-5-2-12-10-14(21)4-7-17(12)24-16/h2-11H,1H3,(H,25,27)
InChIKeyYPYGMTDGLZFIPR-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.17
Rot. Bonds3

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

N-[2-fluoro-4-(6-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide (PubChem CID 137425596) has the molecular formula C20H14F2N4O and a molecular weight of 364.36 g/mol. Its IUPAC name is N-[2-fluoro-4-(6-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(6-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
PubChem CID137425596
Molecular FormulaC20H14F2N4O
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC NameN-[2-fluoro-4-(6-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(-c2ccc3cc(F)ccc3n2)cc1F
InChIInChI=1S/C20H14F2N4O/c1-26-19(8-9-23-26)20(27)25-18-6-3-13(11-15(18)22)16-5-2-12-10-14(21)4-7-17(12)24-16/h2-11H,1H3,(H,25,27)
InChIKeyYPYGMTDGLZFIPR-UHFFFAOYSA-N
XLogP4.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-2-methylpyrazole-3-carboxamide
CID 137425538
N-[4-(6-fluoro-8-propan-2-ylquinolin-2-yl)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 137425355
N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 75484643
N-[4-(6-fluoroquinolin-2-yl)-2-methylphenyl]pyridine-3-carboxamide
CID 137425184
N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129598
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685919
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-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 9209583
N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide
CID 110467115
2-methyl-N-[3-[4-(trifluoromethyl)phenyl]quinolin-7-yl]pyrazole-3-carboxamide
CID 137498224

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(6-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-fluoro-4-(6-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide (CID 137425596) is N-[2-fluoro-4-(6-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-(6-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-fluoro-4-(6-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(-c2ccc3cc(F)ccc3n2)cc1F.
What is the InChIKey of N-[2-fluoro-4-(6-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is YPYGMTDGLZFIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O/c1-26-19(8-9-23-26)20(27)25-18-6-3-13(11-15(18)22)16-5-2-12-10-14(21)4-7-17(12)24-16/h2-11H,1H3,(H,25,27).
What are the key properties of N-[2-fluoro-4-(6-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide?
N-[2-fluoro-4-(6-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 4.17, 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-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 137425596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).