1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine

C16H30BrN3O — CID 116717324

IUPAC1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1c(Br)c(CC)nn1C)C(CC)OCC
InChIInChI=1S/C16H30BrN3O/c1-6-10-18-13(15(8-3)21-9-4)11-14-16(17)12(7-2)19-20(14)5/h13,15,18H,6-11H2,1-5H3
InChIKeyDSADFQUHFGLKEW-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.47
Rot. Bonds10

About 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine

1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine (PubChem CID 116717324) has the molecular formula C16H30BrN3O and a molecular weight of 360.34 g/mol. Its IUPAC name is 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine
PubChem CID116717324
Molecular FormulaC16H30BrN3O
Molecular Weight360.34 g/mol
Exact Mass359.16
IUPAC Name1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1c(Br)c(CC)nn1C)C(CC)OCC
InChIInChI=1S/C16H30BrN3O/c1-6-10-18-13(15(8-3)21-9-4)11-14-16(17)12(7-2)19-20(14)5/h13,15,18H,6-11H2,1-5H3
InChIKeyDSADFQUHFGLKEW-UHFFFAOYSA-N
XLogP3.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-methyl-N-propylhexan-2-amine
CID 104994586
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpentan-2-yl]hydrazine
CID 105314862
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719549
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-yl]hydrazine
CID 105199615
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine
CID 79488993
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methoxypentan-2-ol
CID 116710669
4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole
CID 66048082
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-N-propylbutan-2-amine
CID 79617561
N-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107189387
4-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81019761
3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 116717153
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-ethoxy-N-ethylbutan-2-amine
CID 105157642

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine?
The IUPAC name of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine (CID 116717324) is 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine?
The canonical SMILES for 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine is CCCNC(Cc1c(Br)c(CC)nn1C)C(CC)OCC.
What is the InChIKey of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine?
The InChIKey is DSADFQUHFGLKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BrN3O/c1-6-10-18-13(15(8-3)21-9-4)11-14-16(17)12(7-2)19-20(14)5/h13,15,18H,6-11H2,1-5H3.
What are the key properties of 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine?
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine has a molecular weight of 360.34 g/mol, XLogP of 3.47, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxy-N-propylpentan-2-amine is sourced from PubChem (CID 116717324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).