1-(6-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

C15H10F3N3O2 — CID 134610210

IUPAC1-(6-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1ccc2ncccc2c1-n1ncc(C(=O)O)c1C(F)(F)F
InChIInChI=1S/C15H10F3N3O2/c1-8-4-5-11-9(3-2-6-19-11)12(8)21-13(15(16,17)18)10(7-20-21)14(22)23/h2-7H,1H3,(H,22,23)
InChIKeyZCKNGJDTBPGUHY-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.45
Rot. Bonds2

About 1-(6-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

1-(6-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 134610210) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 1-(6-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID134610210
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name1-(6-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1ccc2ncccc2c1-n1ncc(C(=O)O)c1C(F)(F)F
InChIInChI=1S/C15H10F3N3O2/c1-8-4-5-11-9(3-2-6-19-11)12(8)21-13(15(16,17)18)10(7-20-21)14(22)23/h2-7H,1H3,(H,22,23)
InChIKeyZCKNGJDTBPGUHY-UHFFFAOYSA-N
XLogP3.45
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(6-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 134610210) is 1-(6-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(6-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(6-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is Cc1ccc2ncccc2c1-n1ncc(C(=O)O)c1C(F)(F)F.
What is the InChIKey of 1-(6-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is ZCKNGJDTBPGUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c1-8-4-5-11-9(3-2-6-19-11)12(8)21-13(15(16,17)18)10(7-20-21)14(22)23/h2-7H,1H3,(H,22,23).
What are the key properties of 1-(6-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-(6-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 321.26 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 134610210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).