3-fluoro-4-[(1-methylpyrazol-3-yl)amino]benzoic acid

C11H10FN3O2 — CID 79778416

IUPAC3-fluoro-4-[(1-methylpyrazol-3-yl)amino]benzoic acid
SMILESCn1ccc(Nc2ccc(C(=O)O)cc2F)n1
InChIInChI=1S/C11H10FN3O2/c1-15-5-4-10(14-15)13-9-3-2-7(11(16)17)6-8(9)12/h2-6H,1H3,(H,13,14)(H,16,17)
InChIKeyDYWQOKASAKPBLG-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.00
Rot. Bonds3

About 3-fluoro-4-[(1-methylpyrazol-3-yl)amino]benzoic acid

3-fluoro-4-[(1-methylpyrazol-3-yl)amino]benzoic acid (PubChem CID 79778416) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 3-fluoro-4-[(1-methylpyrazol-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(1-methylpyrazol-3-yl)amino]benzoic acid
PubChem CID79778416
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name3-fluoro-4-[(1-methylpyrazol-3-yl)amino]benzoic acid
SMILESCn1ccc(Nc2ccc(C(=O)O)cc2F)n1
InChIInChI=1S/C11H10FN3O2/c1-15-5-4-10(14-15)13-9-3-2-7(11(16)17)6-8(9)12/h2-6H,1H3,(H,13,14)(H,16,17)
InChIKeyDYWQOKASAKPBLG-UHFFFAOYSA-N
XLogP2.00
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(1-methylpyrazol-3-yl)amino]benzoic acid?
The IUPAC name of 3-fluoro-4-[(1-methylpyrazol-3-yl)amino]benzoic acid (CID 79778416) is 3-fluoro-4-[(1-methylpyrazol-3-yl)amino]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(1-methylpyrazol-3-yl)amino]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(1-methylpyrazol-3-yl)amino]benzoic acid is Cn1ccc(Nc2ccc(C(=O)O)cc2F)n1.
What is the InChIKey of 3-fluoro-4-[(1-methylpyrazol-3-yl)amino]benzoic acid?
The InChIKey is DYWQOKASAKPBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-15-5-4-10(14-15)13-9-3-2-7(11(16)17)6-8(9)12/h2-6H,1H3,(H,13,14)(H,16,17).
What are the key properties of 3-fluoro-4-[(1-methylpyrazol-3-yl)amino]benzoic acid?
3-fluoro-4-[(1-methylpyrazol-3-yl)amino]benzoic acid has a molecular weight of 235.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(1-methylpyrazol-3-yl)amino]benzoic acid is sourced from PubChem (CID 79778416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).