4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid

C14H11N3O3 — CID 162677191

IUPAC4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid
SMILESNc1cc(-c2ccco2)nn1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H11N3O3/c15-13-8-11(12-2-1-7-20-12)16-17(13)10-5-3-9(4-6-10)14(18)19/h1-8H,15H2,(H,18,19)
InChIKeyUWKSMHQOFVJHOW-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.41
Rot. Bonds3

About 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid

4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid (PubChem CID 162677191) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid
PubChem CID162677191
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid
SMILESNc1cc(-c2ccco2)nn1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H11N3O3/c15-13-8-11(12-2-1-7-20-12)16-17(13)10-5-3-9(4-6-10)14(18)19/h1-8H,15H2,(H,18,19)
InChIKeyUWKSMHQOFVJHOW-UHFFFAOYSA-N
XLogP2.41
TPSA94.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid?
The IUPAC name of 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid (CID 162677191) is 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid?
The canonical SMILES for 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid is Nc1cc(-c2ccco2)nn1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid?
The InChIKey is UWKSMHQOFVJHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c15-13-8-11(12-2-1-7-20-12)16-17(13)10-5-3-9(4-6-10)14(18)19/h1-8H,15H2,(H,18,19).
What are the key properties of 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid?
4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid has a molecular weight of 269.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid is sourced from PubChem (CID 162677191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).