3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide

C17H22BrN3O2 — CID 100820954

IUPAC3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide
SMILESCn1nc(OCCC(=O)NC2CCCCC2)c2cc(Br)ccc21
InChIInChI=1S/C17H22BrN3O2/c1-21-15-8-7-12(18)11-14(15)17(20-21)23-10-9-16(22)19-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,19,22)
InChIKeySWZJMUJJTQOAGR-UHFFFAOYSA-N
MW380.29 g/mol
LogP3.55
Rot. Bonds5

About 3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide

3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide (PubChem CID 100820954) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide
PubChem CID100820954
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC Name3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide
SMILESCn1nc(OCCC(=O)NC2CCCCC2)c2cc(Br)ccc21
InChIInChI=1S/C17H22BrN3O2/c1-21-15-8-7-12(18)11-14(15)17(20-21)23-10-9-16(22)19-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,19,22)
InChIKeySWZJMUJJTQOAGR-UHFFFAOYSA-N
XLogP3.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide?
The IUPAC name of 3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide (CID 100820954) is 3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide.
What is the SMILES notation for 3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide?
The canonical SMILES for 3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide is Cn1nc(OCCC(=O)NC2CCCCC2)c2cc(Br)ccc21.
What is the InChIKey of 3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide?
The InChIKey is SWZJMUJJTQOAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c1-21-15-8-7-12(18)11-14(15)17(20-21)23-10-9-16(22)19-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,19,22).
What are the key properties of 3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide?
3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide has a molecular weight of 380.29 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-methylindazol-3-yl)oxy-N-cyclohexylpropanamide is sourced from PubChem (CID 100820954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).