1-(8-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

C15H10F3N3O2 — CID 134610408

IUPAC1-(8-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)c2cccnc12
InChIInChI=1S/C15H10F3N3O2/c1-8-4-5-11(9-3-2-6-19-12(8)9)21-13(15(16,17)18)10(7-20-21)14(22)23/h2-7H,1H3,(H,22,23)
InChIKeyPWXGVNVMAGCZJS-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.45
Rot. Bonds2

About 1-(8-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

1-(8-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 134610408) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 1-(8-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(8-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID134610408
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name1-(8-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)c2cccnc12
InChIInChI=1S/C15H10F3N3O2/c1-8-4-5-11(9-3-2-6-19-12(8)9)21-13(15(16,17)18)10(7-20-21)14(22)23/h2-7H,1H3,(H,22,23)
InChIKeyPWXGVNVMAGCZJS-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-(8-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(8-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 134610408) is 1-(8-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(8-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(8-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is Cc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)c2cccnc12.
What is the InChIKey of 1-(8-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is PWXGVNVMAGCZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c1-8-4-5-11(9-3-2-6-19-12(8)9)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-(8-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-(8-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-(8-methylquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 134610408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).