5-(2-ethoxy-5-fluorophenyl)-4-iodo-1H-pyrazol-3-amine

C11H11FIN3O — CID 3752218

IUPAC5-(2-ethoxy-5-fluorophenyl)-4-iodo-1H-pyrazol-3-amine
SMILESCCOc1ccc(F)cc1-c1[nH]nc(N)c1I
InChIInChI=1S/C11H11FIN3O/c1-2-17-8-4-3-6(12)5-7(8)10-9(13)11(14)16-15-10/h3-5H,2H2,1H3,(H3,14,15,16)
InChIKeyJBWPCVRUKRMMPR-UHFFFAOYSA-N
MW347.13 g/mol
LogP2.80
Rot. Bonds3

About 5-(2-ethoxy-5-fluorophenyl)-4-iodo-1H-pyrazol-3-amine

5-(2-ethoxy-5-fluorophenyl)-4-iodo-1H-pyrazol-3-amine (PubChem CID 3752218) has the molecular formula C11H11FIN3O and a molecular weight of 347.13 g/mol. Its IUPAC name is 5-(2-ethoxy-5-fluorophenyl)-4-iodo-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-ethoxy-5-fluorophenyl)-4-iodo-1H-pyrazol-3-amine
PubChem CID3752218
Molecular FormulaC11H11FIN3O
Molecular Weight347.13 g/mol
Exact Mass346.99
IUPAC Name5-(2-ethoxy-5-fluorophenyl)-4-iodo-1H-pyrazol-3-amine
SMILESCCOc1ccc(F)cc1-c1[nH]nc(N)c1I
InChIInChI=1S/C11H11FIN3O/c1-2-17-8-4-3-6(12)5-7(8)10-9(13)11(14)16-15-10/h3-5H,2H2,1H3,(H3,14,15,16)
InChIKeyJBWPCVRUKRMMPR-UHFFFAOYSA-N
XLogP2.80
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-ethoxy-5-fluorophenyl)-4-iodo-1H-pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-5-fluorophenyl)-4-iodo-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-ethoxy-5-fluorophenyl)-4-iodo-1H-pyrazol-3-amine (CID 3752218) is 5-(2-ethoxy-5-fluorophenyl)-4-iodo-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-ethoxy-5-fluorophenyl)-4-iodo-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-ethoxy-5-fluorophenyl)-4-iodo-1H-pyrazol-3-amine is CCOc1ccc(F)cc1-c1[nH]nc(N)c1I.
What is the InChIKey of 5-(2-ethoxy-5-fluorophenyl)-4-iodo-1H-pyrazol-3-amine?
The InChIKey is JBWPCVRUKRMMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FIN3O/c1-2-17-8-4-3-6(12)5-7(8)10-9(13)11(14)16-15-10/h3-5H,2H2,1H3,(H3,14,15,16).
What are the key properties of 5-(2-ethoxy-5-fluorophenyl)-4-iodo-1H-pyrazol-3-amine?
5-(2-ethoxy-5-fluorophenyl)-4-iodo-1H-pyrazol-3-amine has a molecular weight of 347.13 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-5-fluorophenyl)-4-iodo-1H-pyrazol-3-amine is sourced from PubChem (CID 3752218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).