2-[2-(4-bromopyrazol-1-yl)ethylamino]-2-ethylbutan-1-ol

C11H20BrN3O — CID 71999711

IUPAC2-[2-(4-bromopyrazol-1-yl)ethylamino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCCn1cc(Br)cn1
InChIInChI=1S/C11H20BrN3O/c1-3-11(4-2,9-16)13-5-6-15-8-10(12)7-14-15/h7-8,13,16H,3-6,9H2,1-2H3
InChIKeyBBWWRUBENFFACU-UHFFFAOYSA-N
MW290.20 g/mol
LogP1.79
Rot. Bonds7

About 2-[2-(4-bromopyrazol-1-yl)ethylamino]-2-ethylbutan-1-ol

2-[2-(4-bromopyrazol-1-yl)ethylamino]-2-ethylbutan-1-ol (PubChem CID 71999711) has the molecular formula C11H20BrN3O and a molecular weight of 290.20 g/mol. Its IUPAC name is 2-[2-(4-bromopyrazol-1-yl)ethylamino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[2-(4-bromopyrazol-1-yl)ethylamino]-2-ethylbutan-1-ol
PubChem CID71999711
Molecular FormulaC11H20BrN3O
Molecular Weight290.20 g/mol
Exact Mass289.08
IUPAC Name2-[2-(4-bromopyrazol-1-yl)ethylamino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCCn1cc(Br)cn1
InChIInChI=1S/C11H20BrN3O/c1-3-11(4-2,9-16)13-5-6-15-8-10(12)7-14-15/h7-8,13,16H,3-6,9H2,1-2H3
InChIKeyBBWWRUBENFFACU-UHFFFAOYSA-N
XLogP1.79
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromopyrazol-1-yl)ethylamino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[2-(4-bromopyrazol-1-yl)ethylamino]-2-ethylbutan-1-ol (CID 71999711) is 2-[2-(4-bromopyrazol-1-yl)ethylamino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[2-(4-bromopyrazol-1-yl)ethylamino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[2-(4-bromopyrazol-1-yl)ethylamino]-2-ethylbutan-1-ol is CCC(CC)(CO)NCCn1cc(Br)cn1.
What is the InChIKey of 2-[2-(4-bromopyrazol-1-yl)ethylamino]-2-ethylbutan-1-ol?
The InChIKey is BBWWRUBENFFACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O/c1-3-11(4-2,9-16)13-5-6-15-8-10(12)7-14-15/h7-8,13,16H,3-6,9H2,1-2H3.
What are the key properties of 2-[2-(4-bromopyrazol-1-yl)ethylamino]-2-ethylbutan-1-ol?
2-[2-(4-bromopyrazol-1-yl)ethylamino]-2-ethylbutan-1-ol has a molecular weight of 290.20 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromopyrazol-1-yl)ethylamino]-2-ethylbutan-1-ol is sourced from PubChem (CID 71999711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).