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

C23H18F4N4O — CID 137425147

IUPACN-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCc1c(-c2ccc3cc(C(F)(F)F)ccc3n2)ccc(N(C)C(=O)c2ccnn2C)c1F
InChIInChI=1S/C23H18F4N4O/c1-13-16(18-7-4-14-12-15(23(25,26)27)5-8-17(14)29-18)6-9-19(21(13)24)30(2)22(32)20-10-11-28-31(20)3/h4-12H,1-3H3
InChIKeyXOWXURQNFMGEOY-UHFFFAOYSA-N
MW442.42 g/mol
LogP5.38
Rot. Bonds3

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

N-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide (PubChem CID 137425147) has the molecular formula C23H18F4N4O and a molecular weight of 442.42 g/mol. Its IUPAC name is N-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
PubChem CID137425147
Molecular FormulaC23H18F4N4O
Molecular Weight442.42 g/mol
Exact Mass442.14
IUPAC NameN-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCc1c(-c2ccc3cc(C(F)(F)F)ccc3n2)ccc(N(C)C(=O)c2ccnn2C)c1F
InChIInChI=1S/C23H18F4N4O/c1-13-16(18-7-4-14-12-15(23(25,26)27)5-8-17(14)29-18)6-9-19(21(13)24)30(2)22(32)20-10-11-28-31(20)3/h4-12H,1-3H3
InChIKeyXOWXURQNFMGEOY-UHFFFAOYSA-N
XLogP5.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.42
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide (CID 137425147) is N-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide is Cc1c(-c2ccc3cc(C(F)(F)F)ccc3n2)ccc(N(C)C(=O)c2ccnn2C)c1F.
What is the InChIKey of N-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide?
The InChIKey is XOWXURQNFMGEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O/c1-13-16(18-7-4-14-12-15(23(25,26)27)5-8-17(14)29-18)6-9-19(21(13)24)30(2)22(32)20-10-11-28-31(20)3/h4-12H,1-3H3.
What are the key properties of N-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide?
N-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide has a molecular weight of 442.42 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 137425147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).