2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine

C13H25N3O — CID 65178167

IUPAC2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCCOCCCn1nc(C)c(CCNC)c1C
InChIInChI=1S/C13H25N3O/c1-5-17-10-6-9-16-12(3)13(7-8-14-4)11(2)15-16/h14H,5-10H2,1-4H3
InChIKeyDHUHQTAUBOHTEQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.69
Rot. Bonds8

About 2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine

2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (PubChem CID 65178167) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
PubChem CID65178167
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCCOCCCn1nc(C)c(CCNC)c1C
InChIInChI=1S/C13H25N3O/c1-5-17-10-6-9-16-12(3)13(7-8-14-4)11(2)15-16/h14H,5-10H2,1-4H3
InChIKeyDHUHQTAUBOHTEQ-UHFFFAOYSA-N
XLogP1.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.69
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

N-[2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine
CID 65178222
2-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 65097356
N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 103413495
2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol
CID 75505877
1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine
CID 65178268
N-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine
CID 62564933
1-(3-ethoxypropyl)-3,5-dimethylpyrazole-4-carbaldehyde
CID 65180938
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 61483888
N-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine
CID 106458284
[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol
CID 61483803
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 61483845
2-[3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine
CID 62730587

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (CID 65178167) is 2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine is CCOCCCn1nc(C)c(CCNC)c1C.
What is the InChIKey of 2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The InChIKey is DHUHQTAUBOHTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-17-10-6-9-16-12(3)13(7-8-14-4)11(2)15-16/h14H,5-10H2,1-4H3.
What are the key properties of 2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine has a molecular weight of 239.36 g/mol, XLogP of 1.69, 8 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-dimethylpyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 65178167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).