1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine

C16H30BrN3O — CID 116757908

IUPAC1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
SMILESCCNC(Cc1c(Br)c(CC)nn1CC)C(C)(CC)OC
InChIInChI=1S/C16H30BrN3O/c1-7-12-15(17)13(20(10-4)19-12)11-14(18-9-3)16(5,8-2)21-6/h14,18H,7-11H2,1-6H3
InChIKeyKFMZMEDOTGTMCW-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.56
Rot. Bonds9

About 1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine

1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine (PubChem CID 116757908) has the molecular formula C16H30BrN3O and a molecular weight of 360.34 g/mol. Its IUPAC name is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
PubChem CID116757908
Molecular FormulaC16H30BrN3O
Molecular Weight360.34 g/mol
Exact Mass359.16
IUPAC Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
SMILESCCNC(Cc1c(Br)c(CC)nn1CC)C(C)(CC)OC
InChIInChI=1S/C16H30BrN3O/c1-7-12-15(17)13(20(10-4)19-12)11-14(18-9-3)16(5,8-2)21-6/h14,18H,7-11H2,1-6H3
InChIKeyKFMZMEDOTGTMCW-UHFFFAOYSA-N
XLogP3.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 105002376
[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-4,4-dimethylpentan-2-ol
CID 116713159
1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-4-propoxybutan-2-amine
CID 105162231
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine
CID 79488993
1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyloctan-2-amine
CID 105002335
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105109407
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine
CID 116726183
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
CID 107004668
[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)-3-methoxy-N-propylbutan-2-amine
CID 79617561
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-3-methylpentan-2-one
CID 116746772

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine?
The IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine (CID 116757908) is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine.
What is the SMILES notation for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine?
The canonical SMILES for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine is CCNC(Cc1c(Br)c(CC)nn1CC)C(C)(CC)OC.
What is the InChIKey of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine?
The InChIKey is KFMZMEDOTGTMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BrN3O/c1-7-12-15(17)13(20(10-4)19-12)11-14(18-9-3)16(5,8-2)21-6/h14,18H,7-11H2,1-6H3.
What are the key properties of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine?
1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine has a molecular weight of 360.34 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine is sourced from PubChem (CID 116757908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).