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

C10H8FN3O2 — CID 68667292

IUPAC3-amino-5-(4-fluorophenyl)pyrazole-1-carboxylic acid
SMILESNc1cc(-c2ccc(F)cc2)n(C(=O)O)n1
InChIInChI=1S/C10H8FN3O2/c11-7-3-1-6(2-4-7)8-5-9(12)13-14(8)10(15)16/h1-5H,(H2,12,13)(H,15,16)
InChIKeyUQLHEABDIDHUEG-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.80
Rot. Bonds1

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

3-amino-5-(4-fluorophenyl)pyrazole-1-carboxylic acid (PubChem CID 68667292) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 3-amino-5-(4-fluorophenyl)pyrazole-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(4-fluorophenyl)pyrazole-1-carboxylic acid
PubChem CID68667292
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name3-amino-5-(4-fluorophenyl)pyrazole-1-carboxylic acid
SMILESNc1cc(-c2ccc(F)cc2)n(C(=O)O)n1
InChIInChI=1S/C10H8FN3O2/c11-7-3-1-6(2-4-7)8-5-9(12)13-14(8)10(15)16/h1-5H,(H2,12,13)(H,15,16)
InChIKeyUQLHEABDIDHUEG-UHFFFAOYSA-N
XLogP1.80
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-fluorophenyl)pyrazole-1-carboxylic acid?
The IUPAC name of 3-amino-5-(4-fluorophenyl)pyrazole-1-carboxylic acid (CID 68667292) is 3-amino-5-(4-fluorophenyl)pyrazole-1-carboxylic acid.
What is the SMILES notation for 3-amino-5-(4-fluorophenyl)pyrazole-1-carboxylic acid?
The canonical SMILES for 3-amino-5-(4-fluorophenyl)pyrazole-1-carboxylic acid is Nc1cc(-c2ccc(F)cc2)n(C(=O)O)n1.
What is the InChIKey of 3-amino-5-(4-fluorophenyl)pyrazole-1-carboxylic acid?
The InChIKey is UQLHEABDIDHUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-7-3-1-6(2-4-7)8-5-9(12)13-14(8)10(15)16/h1-5H,(H2,12,13)(H,15,16).
What are the key properties of 3-amino-5-(4-fluorophenyl)pyrazole-1-carboxylic acid?
3-amino-5-(4-fluorophenyl)pyrazole-1-carboxylic acid has a molecular weight of 221.19 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-fluorophenyl)pyrazole-1-carboxylic acid is sourced from PubChem (CID 68667292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).