3-(2,4-dimethylphenyl)-7-fluoro-2-propylindazole

C18H19FN2 — CID 141130734

IUPAC3-(2,4-dimethylphenyl)-7-fluoro-2-propylindazole
SMILESCCCn1nc2c(F)cccc2c1-c1ccc(C)cc1C
InChIInChI=1S/C18H19FN2/c1-4-10-21-18(14-9-8-12(2)11-13(14)3)15-6-5-7-16(19)17(15)20-21/h5-9,11H,4,10H2,1-3H3
InChIKeyZAKSRYMLLHWPJS-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.87
Rot. Bonds3

About 3-(2,4-dimethylphenyl)-7-fluoro-2-propylindazole

3-(2,4-dimethylphenyl)-7-fluoro-2-propylindazole (PubChem CID 141130734) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-7-fluoro-2-propylindazole.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-7-fluoro-2-propylindazole
PubChem CID141130734
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name3-(2,4-dimethylphenyl)-7-fluoro-2-propylindazole
SMILESCCCn1nc2c(F)cccc2c1-c1ccc(C)cc1C
InChIInChI=1S/C18H19FN2/c1-4-10-21-18(14-9-8-12(2)11-13(14)3)15-6-5-7-16(19)17(15)20-21/h5-9,11H,4,10H2,1-3H3
InChIKeyZAKSRYMLLHWPJS-UHFFFAOYSA-N
XLogP4.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-dimethylphenyl)-7-fluoro-2-propylindazole 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-(2,4-dimethylphenyl)-7-fluoro-2-propylindazole?
The IUPAC name of 3-(2,4-dimethylphenyl)-7-fluoro-2-propylindazole (CID 141130734) is 3-(2,4-dimethylphenyl)-7-fluoro-2-propylindazole.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-7-fluoro-2-propylindazole?
The canonical SMILES for 3-(2,4-dimethylphenyl)-7-fluoro-2-propylindazole is CCCn1nc2c(F)cccc2c1-c1ccc(C)cc1C.
What is the InChIKey of 3-(2,4-dimethylphenyl)-7-fluoro-2-propylindazole?
The InChIKey is ZAKSRYMLLHWPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-4-10-21-18(14-9-8-12(2)11-13(14)3)15-6-5-7-16(19)17(15)20-21/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 3-(2,4-dimethylphenyl)-7-fluoro-2-propylindazole?
3-(2,4-dimethylphenyl)-7-fluoro-2-propylindazole has a molecular weight of 282.36 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-7-fluoro-2-propylindazole is sourced from PubChem (CID 141130734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).