3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-amine

C14H12FN3O — CID 22261036

IUPAC3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-amine
SMILESCOc1c(N)ccc2[nH]nc(-c3cccc(F)c3)c12
InChIInChI=1S/C14H12FN3O/c1-19-14-10(16)5-6-11-12(14)13(18-17-11)8-3-2-4-9(15)7-8/h2-7H,16H2,1H3,(H,17,18)
InChIKeyHOAQLCNXBXMFAR-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.96
Rot. Bonds2

About 3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-amine

3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-amine (PubChem CID 22261036) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-amine
PubChem CID22261036
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-amine
SMILESCOc1c(N)ccc2[nH]nc(-c3cccc(F)c3)c12
InChIInChI=1S/C14H12FN3O/c1-19-14-10(16)5-6-11-12(14)13(18-17-11)8-3-2-4-9(15)7-8/h2-7H,16H2,1H3,(H,17,18)
InChIKeyHOAQLCNXBXMFAR-UHFFFAOYSA-N
XLogP2.96
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-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 3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-amine?
The IUPAC name of 3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-amine (CID 22261036) is 3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-amine?
The canonical SMILES for 3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-amine is COc1c(N)ccc2[nH]nc(-c3cccc(F)c3)c12.
What is the InChIKey of 3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-amine?
The InChIKey is HOAQLCNXBXMFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-19-14-10(16)5-6-11-12(14)13(18-17-11)8-3-2-4-9(15)7-8/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-amine?
3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-amine has a molecular weight of 257.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-amine is sourced from PubChem (CID 22261036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).