3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine

C15H28BrN3O2 — CID 79488993

IUPAC3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine
SMILESCCCNC(Cc1c(Br)c(CC)nn1CC)C(OC)OC
InChIInChI=1S/C15H28BrN3O2/c1-6-9-17-12(15(20-4)21-5)10-13-14(16)11(7-2)18-19(13)8-3/h12,15,17H,6-10H2,1-5H3
InChIKeyZZDOILVVWYFAMH-UHFFFAOYSA-N
MW362.31 g/mol
LogP2.76
Rot. Bonds10

About 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine

3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine (PubChem CID 79488993) has the molecular formula C15H28BrN3O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine
PubChem CID79488993
Molecular FormulaC15H28BrN3O2
Molecular Weight362.31 g/mol
Exact Mass361.14
IUPAC Name3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine
SMILESCCCNC(Cc1c(Br)c(CC)nn1CC)C(OC)OC
InChIInChI=1S/C15H28BrN3O2/c1-6-9-17-12(15(20-4)21-5)10-13-14(16)11(7-2)18-19(13)8-3/h12,15,17H,6-10H2,1-5H3
InChIKeyZZDOILVVWYFAMH-UHFFFAOYSA-N
XLogP2.76
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine
CID 79617561
[3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 105246129
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272187
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine
CID 105318872
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271494
3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 79492035
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-ol
CID 79496348
[3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 105246172
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine
CID 116717324
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713159
1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757908
1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-4-propoxybutan-2-amine
CID 105162231

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine?
The IUPAC name of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine (CID 79488993) is 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine.
What is the SMILES notation for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine?
The canonical SMILES for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine is CCCNC(Cc1c(Br)c(CC)nn1CC)C(OC)OC.
What is the InChIKey of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine?
The InChIKey is ZZDOILVVWYFAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrN3O2/c1-6-9-17-12(15(20-4)21-5)10-13-14(16)11(7-2)18-19(13)8-3/h12,15,17H,6-10H2,1-5H3.
What are the key properties of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine?
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine has a molecular weight of 362.31 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine is sourced from PubChem (CID 79488993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).