1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

C11H7F4N3O2 — CID 146285397

IUPAC1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1nc(-n2ncc(C(=O)O)c2C(F)(F)F)ccc1F
InChIInChI=1S/C11H7F4N3O2/c1-5-7(12)2-3-8(17-5)18-9(11(13,14)15)6(4-16-18)10(19)20/h2-4H,1H3,(H,19,20)
InChIKeyLVFBALUEDWIXHH-UHFFFAOYSA-N
MW289.19 g/mol
LogP2.43
Rot. Bonds2

About 1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 146285397) has the molecular formula C11H7F4N3O2 and a molecular weight of 289.19 g/mol. Its IUPAC name is 1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID146285397
Molecular FormulaC11H7F4N3O2
Molecular Weight289.19 g/mol
Exact Mass289.05
IUPAC Name1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1nc(-n2ncc(C(=O)O)c2C(F)(F)F)ccc1F
InChIInChI=1S/C11H7F4N3O2/c1-5-7(12)2-3-8(17-5)18-9(11(13,14)15)6(4-16-18)10(19)20/h2-4H,1H3,(H,19,20)
InChIKeyLVFBALUEDWIXHH-UHFFFAOYSA-N
XLogP2.43
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-6-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 176658898
1-(5-methoxy-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 166545510
1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 141242026
1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 68872265
1-[2-(3,4-dichlorophenyl)pyrimidin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 42624074
1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid
CID 86692420
1-(4,5-dichloro-2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 163322133
1-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 126754445
1-(2-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 11142236
1-[5-fluoro-3-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 146285572
1-[6-(5-formyl-2-methoxyphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 87662996
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 1474440

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 146285397) is 1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is Cc1nc(-n2ncc(C(=O)O)c2C(F)(F)F)ccc1F.
What is the InChIKey of 1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is LVFBALUEDWIXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4N3O2/c1-5-7(12)2-3-8(17-5)18-9(11(13,14)15)6(4-16-18)10(19)20/h2-4H,1H3,(H,19,20).
What are the key properties of 1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 289.19 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 146285397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).