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

C10H8FN3O2 — CID 66509570

IUPAC1-(4-amino-2-fluorophenyl)pyrazole-3-carboxylic acid
SMILESNc1ccc(-n2ccc(C(=O)O)n2)c(F)c1
InChIInChI=1S/C10H8FN3O2/c11-7-5-6(12)1-2-9(7)14-4-3-8(13-14)10(15)16/h1-5H,12H2,(H,15,16)
InChIKeyFIWHRRFQJRQFLW-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.29
Rot. Bonds2

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

1-(4-amino-2-fluorophenyl)pyrazole-3-carboxylic acid (PubChem CID 66509570) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 1-(4-amino-2-fluorophenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-2-fluorophenyl)pyrazole-3-carboxylic acid
PubChem CID66509570
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name1-(4-amino-2-fluorophenyl)pyrazole-3-carboxylic acid
SMILESNc1ccc(-n2ccc(C(=O)O)n2)c(F)c1
InChIInChI=1S/C10H8FN3O2/c11-7-5-6(12)1-2-9(7)14-4-3-8(13-14)10(15)16/h1-5H,12H2,(H,15,16)
InChIKeyFIWHRRFQJRQFLW-UHFFFAOYSA-N
XLogP1.29
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluorophenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-amino-2-fluorophenyl)pyrazole-3-carboxylic acid (CID 66509570) is 1-(4-amino-2-fluorophenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-amino-2-fluorophenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-amino-2-fluorophenyl)pyrazole-3-carboxylic acid is Nc1ccc(-n2ccc(C(=O)O)n2)c(F)c1.
What is the InChIKey of 1-(4-amino-2-fluorophenyl)pyrazole-3-carboxylic acid?
The InChIKey is FIWHRRFQJRQFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-7-5-6(12)1-2-9(7)14-4-3-8(13-14)10(15)16/h1-5H,12H2,(H,15,16).
What are the key properties of 1-(4-amino-2-fluorophenyl)pyrazole-3-carboxylic acid?
1-(4-amino-2-fluorophenyl)pyrazole-3-carboxylic acid has a molecular weight of 221.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluorophenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 66509570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).