1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

C11H8F3N3O2 — CID 58374138

IUPAC1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)nc1
InChIInChI=1S/C11H8F3N3O2/c1-6-2-3-8(15-4-6)17-9(11(12,13)14)7(5-16-17)10(18)19/h2-5H,1H3,(H,18,19)
InChIKeyZVCMGMGHQJHYGK-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.29
Rot. Bonds2

About 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 58374138) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID58374138
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)nc1
InChIInChI=1S/C11H8F3N3O2/c1-6-2-3-8(15-4-6)17-9(11(12,13)14)7(5-16-17)10(18)19/h2-5H,1H3,(H,18,19)
InChIKeyZVCMGMGHQJHYGK-UHFFFAOYSA-N
XLogP2.29
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 58374138) is 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is Cc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is ZVCMGMGHQJHYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c1-6-2-3-8(15-4-6)17-9(11(12,13)14)7(5-16-17)10(18)19/h2-5H,1H3,(H,18,19).
What are the key properties of 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 271.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 58374138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).