1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine

C13H24BrN3O — CID 114661088

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine
SMILESCCCC(OCC)C(NC)c1c(Br)cnn1CC
InChIInChI=1S/C13H24BrN3O/c1-5-8-11(18-7-3)12(15-4)13-10(14)9-16-17(13)6-2/h9,11-12,15H,5-8H2,1-4H3
InChIKeyOTYDPCSQPXEUPB-UHFFFAOYSA-N
MW318.26 g/mol
LogP3.13
Rot. Bonds8

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine

1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine (PubChem CID 114661088) has the molecular formula C13H24BrN3O and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine
PubChem CID114661088
Molecular FormulaC13H24BrN3O
Molecular Weight318.26 g/mol
Exact Mass317.11
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine
SMILESCCCC(OCC)C(NC)c1c(Br)cnn1CC
InChIInChI=1S/C13H24BrN3O/c1-5-8-11(18-7-3)12(15-4)13-10(14)9-16-17(13)6-2/h9,11-12,15H,5-8H2,1-4H3
InChIKeyOTYDPCSQPXEUPB-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxybutyl]hydrazine
CID 105271124
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine
CID 114661034
1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651699
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxypentan-1-ol
CID 114645610
N-[1-(4-bromo-1-ethylpyrazol-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 103517116
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxy-N-methylbutan-1-amine
CID 114653359
1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
CID 114657499
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105040502
2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylbutan-1-amine
CID 114661045
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine
CID 105182888
1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine
CID 114648216
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutyl]hydrazine
CID 105272153

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine (CID 114661088) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine is CCCC(OCC)C(NC)c1c(Br)cnn1CC.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine?
The InChIKey is OTYDPCSQPXEUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN3O/c1-5-8-11(18-7-3)12(15-4)13-10(14)9-16-17(13)6-2/h9,11-12,15H,5-8H2,1-4H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine has a molecular weight of 318.26 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine is sourced from PubChem (CID 114661088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).