(E)-2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]-N-methylethenamine

C11H16BrN3O — CID 130380618

IUPAC(E)-2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]-N-methylethenamine
SMILESCN/C=C/C1(n2cc(Br)cn2)CC(OC)C1
InChIInChI=1S/C11H16BrN3O/c1-13-4-3-11(5-10(6-11)16-2)15-8-9(12)7-14-15/h3-4,7-8,10,13H,5-6H2,1-2H3/b4-3+
InChIKeyCDQGFYRIQZWJAM-ONEGZZNKSA-N
MW286.17 g/mol
LogP1.88
Rot. Bonds4

About (E)-2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]-N-methylethenamine

(E)-2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]-N-methylethenamine (PubChem CID 130380618) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is (E)-2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]-N-methylethenamine.

Molecular Properties

Compound Name(E)-2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]-N-methylethenamine
PubChem CID130380618
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name(E)-2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]-N-methylethenamine
SMILESCN/C=C/C1(n2cc(Br)cn2)CC(OC)C1
InChIInChI=1S/C11H16BrN3O/c1-13-4-3-11(5-10(6-11)16-2)15-8-9(12)7-14-15/h3-4,7-8,10,13H,5-6H2,1-2H3/b4-3+
InChIKeyCDQGFYRIQZWJAM-ONEGZZNKSA-N
XLogP1.88
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]-N-methylethenamine?
The IUPAC name of (E)-2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]-N-methylethenamine (CID 130380618) is (E)-2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]-N-methylethenamine.
What is the SMILES notation for (E)-2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]-N-methylethenamine?
The canonical SMILES for (E)-2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]-N-methylethenamine is CN/C=C/C1(n2cc(Br)cn2)CC(OC)C1.
What is the InChIKey of (E)-2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]-N-methylethenamine?
The InChIKey is CDQGFYRIQZWJAM-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-13-4-3-11(5-10(6-11)16-2)15-8-9(12)7-14-15/h3-4,7-8,10,13H,5-6H2,1-2H3/b4-3+.
What are the key properties of (E)-2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]-N-methylethenamine?
(E)-2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]-N-methylethenamine has a molecular weight of 286.17 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[1-(4-bromopyrazol-1-yl)-3-methoxycyclobutyl]-N-methylethenamine is sourced from PubChem (CID 130380618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).