1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol

C13H24BrN3O2 — CID 66038256

IUPAC1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
SMILESCCc1nn(C)c(CC(C)(O)CNCCOC)c1Br
InChIInChI=1S/C13H24BrN3O2/c1-5-10-12(14)11(17(3)16-10)8-13(2,18)9-15-6-7-19-4/h15,18H,5-9H2,1-4H3
InChIKeyBMVTYEQSZLJKNF-UHFFFAOYSA-N
MW334.26 g/mol
LogP1.27
Rot. Bonds8

About 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol

1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol (PubChem CID 66038256) has the molecular formula C13H24BrN3O2 and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
PubChem CID66038256
Molecular FormulaC13H24BrN3O2
Molecular Weight334.26 g/mol
Exact Mass333.11
IUPAC Name1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
SMILESCCc1nn(C)c(CC(C)(O)CNCCOC)c1Br
InChIInChI=1S/C13H24BrN3O2/c1-5-10-12(14)11(17(3)16-10)8-13(2,18)9-15-6-7-19-4/h15,18H,5-9H2,1-4H3
InChIKeyBMVTYEQSZLJKNF-UHFFFAOYSA-N
XLogP1.27
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol
CID 66037713
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol
CID 66040330
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104760409
4-bromo-5-[2-(chloromethyl)-2-methylbutyl]-3-ethyl-1-methylpyrazole
CID 66033623
4-bromo-5-(3-chloro-2,2-dimethylpropyl)-3-ethyl-1-methylpyrazole
CID 66058486
1-methoxy-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 62774154
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941895
4-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylbutanoic acid
CID 81004279
4-bromo-5-[2-(chloromethyl)-2-methylbut-3-enyl]-3-ethyl-1-methylpyrazole
CID 102642045
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833226
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-one
CID 79197859

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol (CID 66038256) is 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol is CCc1nn(C)c(CC(C)(O)CNCCOC)c1Br.
What is the InChIKey of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol?
The InChIKey is BMVTYEQSZLJKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN3O2/c1-5-10-12(14)11(17(3)16-10)8-13(2,18)9-15-6-7-19-4/h15,18H,5-9H2,1-4H3.
What are the key properties of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol?
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol has a molecular weight of 334.26 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 66038256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).