N-(4-fluoro-1-methylindazol-3-yl)-2,2-dimethylpropanamide

C13H16FN3O — CID 2742964

IUPACN-(4-fluoro-1-methylindazol-3-yl)-2,2-dimethylpropanamide
SMILESCn1nc(NC(=O)C(C)(C)C)c2c(F)cccc21
InChIInChI=1S/C13H16FN3O/c1-13(2,3)12(18)15-11-10-8(14)6-5-7-9(10)17(4)16-11/h5-7H,1-4H3,(H,15,16,18)
InChIKeyHATMOXGFESVUOV-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.70
Rot. Bonds1

About N-(4-fluoro-1-methylindazol-3-yl)-2,2-dimethylpropanamide

N-(4-fluoro-1-methylindazol-3-yl)-2,2-dimethylpropanamide (PubChem CID 2742964) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is N-(4-fluoro-1-methylindazol-3-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-fluoro-1-methylindazol-3-yl)-2,2-dimethylpropanamide
PubChem CID2742964
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC NameN-(4-fluoro-1-methylindazol-3-yl)-2,2-dimethylpropanamide
SMILESCn1nc(NC(=O)C(C)(C)C)c2c(F)cccc21
InChIInChI=1S/C13H16FN3O/c1-13(2,3)12(18)15-11-10-8(14)6-5-7-9(10)17(4)16-11/h5-7H,1-4H3,(H,15,16,18)
InChIKeyHATMOXGFESVUOV-UHFFFAOYSA-N
XLogP2.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1-methylindazol-3-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-fluoro-1-methylindazol-3-yl)-2,2-dimethylpropanamide (CID 2742964) is N-(4-fluoro-1-methylindazol-3-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-fluoro-1-methylindazol-3-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-fluoro-1-methylindazol-3-yl)-2,2-dimethylpropanamide is Cn1nc(NC(=O)C(C)(C)C)c2c(F)cccc21.
What is the InChIKey of N-(4-fluoro-1-methylindazol-3-yl)-2,2-dimethylpropanamide?
The InChIKey is HATMOXGFESVUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-13(2,3)12(18)15-11-10-8(14)6-5-7-9(10)17(4)16-11/h5-7H,1-4H3,(H,15,16,18).
What are the key properties of N-(4-fluoro-1-methylindazol-3-yl)-2,2-dimethylpropanamide?
N-(4-fluoro-1-methylindazol-3-yl)-2,2-dimethylpropanamide has a molecular weight of 249.29 g/mol, XLogP of 2.70, 1 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)-2,2-dimethylpropanamide is sourced from PubChem (CID 2742964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).