2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine

C9H15Br2N3 — CID 114692675

IUPAC2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine
SMILESCCN(CC)CCn1nc(Br)cc1Br
InChIInChI=1S/C9H15Br2N3/c1-3-13(4-2)5-6-14-9(11)7-8(10)12-14/h7H,3-6H2,1-2H3
InChIKeyULOCWYFEPUZURJ-UHFFFAOYSA-N
MW325.05 g/mol
LogP2.75
Rot. Bonds5

About 2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine

2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine (PubChem CID 114692675) has the molecular formula C9H15Br2N3 and a molecular weight of 325.05 g/mol. Its IUPAC name is 2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine
PubChem CID114692675
Molecular FormulaC9H15Br2N3
Molecular Weight325.05 g/mol
Exact Mass322.96
IUPAC Name2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine
SMILESCCN(CC)CCn1nc(Br)cc1Br
InChIInChI=1S/C9H15Br2N3/c1-3-13(4-2)5-6-14-9(11)7-8(10)12-14/h7H,3-6H2,1-2H3
InChIKeyULOCWYFEPUZURJ-UHFFFAOYSA-N
XLogP2.75
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.05
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine?
The IUPAC name of 2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine (CID 114692675) is 2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine.
What is the SMILES notation for 2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine?
The canonical SMILES for 2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine is CCN(CC)CCn1nc(Br)cc1Br.
What is the InChIKey of 2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine?
The InChIKey is ULOCWYFEPUZURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Br2N3/c1-3-13(4-2)5-6-14-9(11)7-8(10)12-14/h7H,3-6H2,1-2H3.
What are the key properties of 2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine?
2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine has a molecular weight of 325.05 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromopyrazol-1-yl)-N,N-diethylethanamine is sourced from PubChem (CID 114692675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).