1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine

C15H20BrN3 — CID 62129570

IUPAC1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1-n1nc(C)c(Br)c1C
InChIInChI=1S/C15H20BrN3/c1-5-17-10(2)13-8-6-7-9-14(13)19-12(4)15(16)11(3)18-19/h6-10,17H,5H2,1-4H3
InChIKeyOADJCLHUOBNKFF-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.92
Rot. Bonds4

About 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine

1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine (PubChem CID 62129570) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine
PubChem CID62129570
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1-n1nc(C)c(Br)c1C
InChIInChI=1S/C15H20BrN3/c1-5-17-10(2)13-8-6-7-9-14(13)19-12(4)15(16)11(3)18-19/h6-10,17H,5H2,1-4H3
InChIKeyOADJCLHUOBNKFF-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine (CID 62129570) is 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine is CCNC(C)c1ccccc1-n1nc(C)c(Br)c1C.
What is the InChIKey of 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine?
The InChIKey is OADJCLHUOBNKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-5-17-10(2)13-8-6-7-9-14(13)19-12(4)15(16)11(3)18-19/h6-10,17H,5H2,1-4H3.
What are the key properties of 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine?
1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine has a molecular weight of 322.25 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 62129570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).