N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-methoxypropan-2-amine

C11H20BrN3O — CID 62565846

IUPACN-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCn1nc(C)c(Br)c1C
InChIInChI=1S/C11H20BrN3O/c1-8(7-16-4)13-5-6-15-10(3)11(12)9(2)14-15/h8,13H,5-7H2,1-4H3
InChIKeyDOYWXVNJAKWPID-UHFFFAOYSA-N
MW290.20 g/mol
LogP1.89
Rot. Bonds6

About N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-methoxypropan-2-amine

N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-methoxypropan-2-amine (PubChem CID 62565846) has the molecular formula C11H20BrN3O and a molecular weight of 290.20 g/mol. Its IUPAC name is N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-methoxypropan-2-amine
PubChem CID62565846
Molecular FormulaC11H20BrN3O
Molecular Weight290.20 g/mol
Exact Mass289.08
IUPAC NameN-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCn1nc(C)c(Br)c1C
InChIInChI=1S/C11H20BrN3O/c1-8(7-16-4)13-5-6-15-10(3)11(12)9(2)14-15/h8,13H,5-7H2,1-4H3
InChIKeyDOYWXVNJAKWPID-UHFFFAOYSA-N
XLogP1.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-methoxypropan-2-amine (CID 62565846) is N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-methoxypropan-2-amine is COCC(C)NCCn1nc(C)c(Br)c1C.
What is the InChIKey of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is DOYWXVNJAKWPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O/c1-8(7-16-4)13-5-6-15-10(3)11(12)9(2)14-15/h8,13H,5-7H2,1-4H3.
What are the key properties of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-methoxypropan-2-amine?
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 290.20 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 62565846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).