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

C13H24BrN3O — CID 62566580

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNCC(C)n1nc(C)c(Br)c1C
InChIInChI=1S/C13H24BrN3O/c1-5-18-8-6-7-15-9-10(2)17-12(4)13(14)11(3)16-17/h10,15H,5-9H2,1-4H3
InChIKeyGIWUSDIUVURBDV-UHFFFAOYSA-N
MW318.26 g/mol
LogP2.84
Rot. Bonds8

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

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine (PubChem CID 62566580) has the molecular formula C13H24BrN3O and a molecular weight of 318.26 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine
PubChem CID62566580
Molecular FormulaC13H24BrN3O
Molecular Weight318.26 g/mol
Exact Mass317.11
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNCC(C)n1nc(C)c(Br)c1C
InChIInChI=1S/C13H24BrN3O/c1-5-18-8-6-7-15-9-10(2)17-12(4)13(14)11(3)16-17/h10,15H,5-9H2,1-4H3
InChIKeyGIWUSDIUVURBDV-UHFFFAOYSA-N
XLogP2.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 52.84
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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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine
CID 55087538
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 62566583
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62448251
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-ethylbutan-1-amine
CID 62447877
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-propylpropan-1-amine
CID 62442336
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pentan-1-amine
CID 62567349
1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62558176
1-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
CID 65175065
2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62572748
2-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 62129229
N-ethyl-2-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
CID 62440976

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine (CID 62566580) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine is CCOCCCNCC(C)n1nc(C)c(Br)c1C.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine?
The InChIKey is GIWUSDIUVURBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN3O/c1-5-18-8-6-7-15-9-10(2)17-12(4)13(14)11(3)16-17/h10,15H,5-9H2,1-4H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-ethoxypropyl)propan-1-amine has a molecular weight of 318.26 g/mol, XLogP of 2.84, 8 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-(3-ethoxypropyl)propan-1-amine is sourced from PubChem (CID 62566580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).