2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine

C14H27N3O — CID 82699797

IUPAC2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine
SMILESCCOCCCn1nc(CC)c(CCN)c1CC
InChIInChI=1S/C14H27N3O/c1-4-13-12(8-9-15)14(5-2)17(16-13)10-7-11-18-6-3/h4-11,15H2,1-3H3
InChIKeyRPIVQRAVKUNWBN-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.94
Rot. Bonds9

About 2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine

2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine (PubChem CID 82699797) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine
PubChem CID82699797
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine
SMILESCCOCCCn1nc(CC)c(CCN)c1CC
InChIInChI=1S/C14H27N3O/c1-4-13-12(8-9-15)14(5-2)17(16-13)10-7-11-18-6-3/h4-11,15H2,1-3H3
InChIKeyRPIVQRAVKUNWBN-UHFFFAOYSA-N
XLogP1.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine
CID 103412911
2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine
CID 82698599
2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
CID 79224877
2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine
CID 116618024
1-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 82696841
[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine
CID 104649614
2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
CID 82700513
2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine
CID 82699798
2-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 82699197
[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine
CID 83168953
N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine
CID 82697711
1-butyl-4-(chloromethyl)-3,5-diethylpyrazole
CID 82700348

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine (CID 82699797) is 2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine is CCOCCCn1nc(CC)c(CCN)c1CC.
What is the InChIKey of 2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine?
The InChIKey is RPIVQRAVKUNWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-13-12(8-9-15)14(5-2)17(16-13)10-7-11-18-6-3/h4-11,15H2,1-3H3.
What are the key properties of 2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine?
2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 82699797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).