N-(4-fluoro-1-methylindazol-3-yl)propanamide

C11H12FN3O — CID 2742974

IUPACN-(4-fluoro-1-methylindazol-3-yl)propanamide
SMILESCCC(=O)Nc1nn(C)c2cccc(F)c12
InChIInChI=1S/C11H12FN3O/c1-3-9(16)13-11-10-7(12)5-4-6-8(10)15(2)14-11/h4-6H,3H2,1-2H3,(H,13,14,16)
InChIKeyCAWNPJKZOKHACT-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.06
Rot. Bonds2

About N-(4-fluoro-1-methylindazol-3-yl)propanamide

N-(4-fluoro-1-methylindazol-3-yl)propanamide (PubChem CID 2742974) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is N-(4-fluoro-1-methylindazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluoro-1-methylindazol-3-yl)propanamide
PubChem CID2742974
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC NameN-(4-fluoro-1-methylindazol-3-yl)propanamide
SMILESCCC(=O)Nc1nn(C)c2cccc(F)c12
InChIInChI=1S/C11H12FN3O/c1-3-9(16)13-11-10-7(12)5-4-6-8(10)15(2)14-11/h4-6H,3H2,1-2H3,(H,13,14,16)
InChIKeyCAWNPJKZOKHACT-UHFFFAOYSA-N
XLogP2.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-fluoro-1-methylindazol-3-yl)propanamide 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 N-(4-fluoro-1-methylindazol-3-yl)propanamide?
The IUPAC name of N-(4-fluoro-1-methylindazol-3-yl)propanamide (CID 2742974) is N-(4-fluoro-1-methylindazol-3-yl)propanamide.
What is the SMILES notation for N-(4-fluoro-1-methylindazol-3-yl)propanamide?
The canonical SMILES for N-(4-fluoro-1-methylindazol-3-yl)propanamide is CCC(=O)Nc1nn(C)c2cccc(F)c12.
What is the InChIKey of N-(4-fluoro-1-methylindazol-3-yl)propanamide?
The InChIKey is CAWNPJKZOKHACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-3-9(16)13-11-10-7(12)5-4-6-8(10)15(2)14-11/h4-6H,3H2,1-2H3,(H,13,14,16).
What are the key properties of N-(4-fluoro-1-methylindazol-3-yl)propanamide?
N-(4-fluoro-1-methylindazol-3-yl)propanamide has a molecular weight of 221.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1-methylindazol-3-yl)propanamide is sourced from PubChem (CID 2742974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).