3-(3-aminopyrazol-1-yl)benzoic acid

C10H9N3O2 — CID 91692344

IUPAC3-(3-aminopyrazol-1-yl)benzoic acid
SMILESNc1ccn(-c2cccc(C(=O)O)c2)n1
InChIInChI=1S/C10H9N3O2/c11-9-4-5-13(12-9)8-3-1-2-7(6-8)10(14)15/h1-6H,(H2,11,12)(H,14,15)
InChIKeyRESNYBXAZLRVKO-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.15
Rot. Bonds2

About 3-(3-aminopyrazol-1-yl)benzoic acid

3-(3-aminopyrazol-1-yl)benzoic acid (PubChem CID 91692344) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-(3-aminopyrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(3-aminopyrazol-1-yl)benzoic acid
PubChem CID91692344
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name3-(3-aminopyrazol-1-yl)benzoic acid
SMILESNc1ccn(-c2cccc(C(=O)O)c2)n1
InChIInChI=1S/C10H9N3O2/c11-9-4-5-13(12-9)8-3-1-2-7(6-8)10(14)15/h1-6H,(H2,11,12)(H,14,15)
InChIKeyRESNYBXAZLRVKO-UHFFFAOYSA-N
XLogP1.15
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrazol-1-yl)benzoic acid?
The IUPAC name of 3-(3-aminopyrazol-1-yl)benzoic acid (CID 91692344) is 3-(3-aminopyrazol-1-yl)benzoic acid.
What is the SMILES notation for 3-(3-aminopyrazol-1-yl)benzoic acid?
The canonical SMILES for 3-(3-aminopyrazol-1-yl)benzoic acid is Nc1ccn(-c2cccc(C(=O)O)c2)n1.
What is the InChIKey of 3-(3-aminopyrazol-1-yl)benzoic acid?
The InChIKey is RESNYBXAZLRVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-9-4-5-13(12-9)8-3-1-2-7(6-8)10(14)15/h1-6H,(H2,11,12)(H,14,15).
What are the key properties of 3-(3-aminopyrazol-1-yl)benzoic acid?
3-(3-aminopyrazol-1-yl)benzoic acid has a molecular weight of 203.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopyrazol-1-yl)benzoic acid is sourced from PubChem (CID 91692344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).