3-(3-fluorophenyl)-1,7-dimethylindazol-5-amine

C15H14FN3 — CID 23589676

IUPAC3-(3-fluorophenyl)-1,7-dimethylindazol-5-amine
SMILESCc1cc(N)cc2c(-c3cccc(F)c3)nn(C)c12
InChIInChI=1S/C15H14FN3/c1-9-6-12(17)8-13-14(18-19(2)15(9)13)10-4-3-5-11(16)7-10/h3-8H,17H2,1-2H3
InChIKeyAIXXSEKHZLKVCC-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.27
Rot. Bonds1

About 3-(3-fluorophenyl)-1,7-dimethylindazol-5-amine

3-(3-fluorophenyl)-1,7-dimethylindazol-5-amine (PubChem CID 23589676) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1,7-dimethylindazol-5-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1,7-dimethylindazol-5-amine
PubChem CID23589676
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name3-(3-fluorophenyl)-1,7-dimethylindazol-5-amine
SMILESCc1cc(N)cc2c(-c3cccc(F)c3)nn(C)c12
InChIInChI=1S/C15H14FN3/c1-9-6-12(17)8-13-14(18-19(2)15(9)13)10-4-3-5-11(16)7-10/h3-8H,17H2,1-2H3
InChIKeyAIXXSEKHZLKVCC-UHFFFAOYSA-N
XLogP3.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-fluorophenyl)-1,7-dimethylindazol-5-amine?
The IUPAC name of 3-(3-fluorophenyl)-1,7-dimethylindazol-5-amine (CID 23589676) is 3-(3-fluorophenyl)-1,7-dimethylindazol-5-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-1,7-dimethylindazol-5-amine?
The canonical SMILES for 3-(3-fluorophenyl)-1,7-dimethylindazol-5-amine is Cc1cc(N)cc2c(-c3cccc(F)c3)nn(C)c12.
What is the InChIKey of 3-(3-fluorophenyl)-1,7-dimethylindazol-5-amine?
The InChIKey is AIXXSEKHZLKVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-9-6-12(17)8-13-14(18-19(2)15(9)13)10-4-3-5-11(16)7-10/h3-8H,17H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-1,7-dimethylindazol-5-amine?
3-(3-fluorophenyl)-1,7-dimethylindazol-5-amine has a molecular weight of 255.30 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1,7-dimethylindazol-5-amine is sourced from PubChem (CID 23589676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).