5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid

C12H12FN3O2 — CID 91231371

IUPAC5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
SMILESCCc1nn(-c2ccccc2F)c(N)c1C(=O)O
InChIInChI=1S/C12H12FN3O2/c1-2-8-10(12(17)18)11(14)16(15-8)9-6-4-3-5-7(9)13/h3-6H,2,14H2,1H3,(H,17,18)
InChIKeyLISRZELOZDRZGO-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.85
Rot. Bonds3

About 5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid

5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid (PubChem CID 91231371) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
PubChem CID91231371
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
SMILESCCc1nn(-c2ccccc2F)c(N)c1C(=O)O
InChIInChI=1S/C12H12FN3O2/c1-2-8-10(12(17)18)11(14)16(15-8)9-6-4-3-5-7(9)13/h3-6H,2,14H2,1H3,(H,17,18)
InChIKeyLISRZELOZDRZGO-UHFFFAOYSA-N
XLogP1.85
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid (CID 91231371) is 5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid is CCc1nn(-c2ccccc2F)c(N)c1C(=O)O.
What is the InChIKey of 5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid?
The InChIKey is LISRZELOZDRZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-2-8-10(12(17)18)11(14)16(15-8)9-6-4-3-5-7(9)13/h3-6H,2,14H2,1H3,(H,17,18).
What are the key properties of 5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid?
5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid has a molecular weight of 249.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 91231371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).