3-(4-amino-2,3-dichlorophenoxy)pyrazole-1-carboxylic acid

C10H7Cl2N3O3 — CID 146345872

IUPAC3-(4-amino-2,3-dichlorophenoxy)pyrazole-1-carboxylic acid
SMILESNc1ccc(Oc2ccn(C(=O)O)n2)c(Cl)c1Cl
InChIInChI=1S/C10H7Cl2N3O3/c11-8-5(13)1-2-6(9(8)12)18-7-3-4-15(14-7)10(16)17/h1-4H,13H2,(H,16,17)
InChIKeyPSEUUCSLQPYRKH-UHFFFAOYSA-N
MW288.09 g/mol
LogP3.09
Rot. Bonds2

About 3-(4-amino-2,3-dichlorophenoxy)pyrazole-1-carboxylic acid

3-(4-amino-2,3-dichlorophenoxy)pyrazole-1-carboxylic acid (PubChem CID 146345872) has the molecular formula C10H7Cl2N3O3 and a molecular weight of 288.09 g/mol. Its IUPAC name is 3-(4-amino-2,3-dichlorophenoxy)pyrazole-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-amino-2,3-dichlorophenoxy)pyrazole-1-carboxylic acid
PubChem CID146345872
Molecular FormulaC10H7Cl2N3O3
Molecular Weight288.09 g/mol
Exact Mass286.99
IUPAC Name3-(4-amino-2,3-dichlorophenoxy)pyrazole-1-carboxylic acid
SMILESNc1ccc(Oc2ccn(C(=O)O)n2)c(Cl)c1Cl
InChIInChI=1S/C10H7Cl2N3O3/c11-8-5(13)1-2-6(9(8)12)18-7-3-4-15(14-7)10(16)17/h1-4H,13H2,(H,16,17)
InChIKeyPSEUUCSLQPYRKH-UHFFFAOYSA-N
XLogP3.09
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2,3-dichlorophenoxy)pyrazole-1-carboxylic acid?
The IUPAC name of 3-(4-amino-2,3-dichlorophenoxy)pyrazole-1-carboxylic acid (CID 146345872) is 3-(4-amino-2,3-dichlorophenoxy)pyrazole-1-carboxylic acid.
What is the SMILES notation for 3-(4-amino-2,3-dichlorophenoxy)pyrazole-1-carboxylic acid?
The canonical SMILES for 3-(4-amino-2,3-dichlorophenoxy)pyrazole-1-carboxylic acid is Nc1ccc(Oc2ccn(C(=O)O)n2)c(Cl)c1Cl.
What is the InChIKey of 3-(4-amino-2,3-dichlorophenoxy)pyrazole-1-carboxylic acid?
The InChIKey is PSEUUCSLQPYRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O3/c11-8-5(13)1-2-6(9(8)12)18-7-3-4-15(14-7)10(16)17/h1-4H,13H2,(H,16,17).
What are the key properties of 3-(4-amino-2,3-dichlorophenoxy)pyrazole-1-carboxylic acid?
3-(4-amino-2,3-dichlorophenoxy)pyrazole-1-carboxylic acid has a molecular weight of 288.09 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2,3-dichlorophenoxy)pyrazole-1-carboxylic acid is sourced from PubChem (CID 146345872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).