1-(3-aminophenyl)pyrazole-3-carboxylic acid

C10H9N3O2 — CID 39870253

IUPAC1-(3-aminophenyl)pyrazole-3-carboxylic acid
SMILESNc1cccc(-n2ccc(C(=O)O)n2)c1
InChIInChI=1S/C10H9N3O2/c11-7-2-1-3-8(6-7)13-5-4-9(12-13)10(14)15/h1-6H,11H2,(H,14,15)
InChIKeyGWMGVDAFFHIXCL-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.15
Rot. Bonds2

About 1-(3-aminophenyl)pyrazole-3-carboxylic acid

1-(3-aminophenyl)pyrazole-3-carboxylic acid (PubChem CID 39870253) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-(3-aminophenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminophenyl)pyrazole-3-carboxylic acid
PubChem CID39870253
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name1-(3-aminophenyl)pyrazole-3-carboxylic acid
SMILESNc1cccc(-n2ccc(C(=O)O)n2)c1
InChIInChI=1S/C10H9N3O2/c11-7-2-1-3-8(6-7)13-5-4-9(12-13)10(14)15/h1-6H,11H2,(H,14,15)
InChIKeyGWMGVDAFFHIXCL-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

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-(3-aminophenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(3-aminophenyl)pyrazole-3-carboxylic acid (CID 39870253) is 1-(3-aminophenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(3-aminophenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(3-aminophenyl)pyrazole-3-carboxylic acid is Nc1cccc(-n2ccc(C(=O)O)n2)c1.
What is the InChIKey of 1-(3-aminophenyl)pyrazole-3-carboxylic acid?
The InChIKey is GWMGVDAFFHIXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-7-2-1-3-8(6-7)13-5-4-9(12-13)10(14)15/h1-6H,11H2,(H,14,15).
What are the key properties of 1-(3-aminophenyl)pyrazole-3-carboxylic acid?
1-(3-aminophenyl)pyrazole-3-carboxylic 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 1-(3-aminophenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 39870253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).