2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine

C11H20BrN3O — CID 62566212

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)n1nc(C)c(Br)c1C
InChIInChI=1S/C11H20BrN3O/c1-8(7-13-5-6-16-4)15-10(3)11(12)9(2)14-15/h8,13H,5-7H2,1-4H3
InChIKeyDVFAVUIOZMEFRE-UHFFFAOYSA-N
MW290.21 g/mol
LogP2.06
Rot. Bonds6

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62566212) has the molecular formula C11H20BrN3O and a molecular weight of 290.21 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID62566212
Molecular FormulaC11H20BrN3O
Molecular Weight290.21 g/mol
Exact Mass289.08
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)n1nc(C)c(Br)c1C
InChIInChI=1S/C11H20BrN3O/c1-8(7-13-5-6-16-4)15-10(3)11(12)9(2)14-15/h8,13H,5-7H2,1-4H3
InChIKeyDVFAVUIOZMEFRE-UHFFFAOYSA-N
XLogP2.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine (CID 62566212) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine is COCCNCC(C)n1nc(C)c(Br)c1C.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is DVFAVUIOZMEFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O/c1-8(7-13-5-6-16-4)15-10(3)11(12)9(2)14-15/h8,13H,5-7H2,1-4H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 290.21 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62566212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).