1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid

C11H10FN3O2 — CID 121210795

IUPAC1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccnc2)nn1CCF
InChIInChI=1S/C11H10FN3O2/c12-3-5-15-10(11(16)17)6-9(14-15)8-2-1-4-13-7-8/h1-2,4,6-7H,3,5H2,(H,16,17)
InChIKeyNXEOIUUZMUTOEM-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.61
Rot. Bonds4

About 1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid

1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid (PubChem CID 121210795) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
PubChem CID121210795
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccnc2)nn1CCF
InChIInChI=1S/C11H10FN3O2/c12-3-5-15-10(11(16)17)6-9(14-15)8-2-1-4-13-7-8/h1-2,4,6-7H,3,5H2,(H,16,17)
InChIKeyNXEOIUUZMUTOEM-UHFFFAOYSA-N
XLogP1.61
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 82370993
2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 121214144
1-(3-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 2381730
1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 82376222
1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 82370874
2-ethyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 104617789
2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one
CID 52903522
1-(difluoromethyl)-3-pyridin-3-ylpyrazole-5-carboxamide
CID 121210823
1-propyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 60985297
1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide
CID 121210917
1-(cyanomethyl)-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 121210878
3-pyridin-3-ylbenzoic acid
CID 2795575

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid (CID 121210795) is 1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid is O=C(O)c1cc(-c2cccnc2)nn1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid?
The InChIKey is NXEOIUUZMUTOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c12-3-5-15-10(11(16)17)6-9(14-15)8-2-1-4-13-7-8/h1-2,4,6-7H,3,5H2,(H,16,17).
What are the key properties of 1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid?
1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid has a molecular weight of 235.22 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 121210795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).