N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine

C13H25N3O2 — CID 114649117

IUPACN-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine
SMILESCCCOCC(NCC)c1c(OC)cnn1CC
InChIInChI=1S/C13H25N3O2/c1-5-8-18-10-11(14-6-2)13-12(17-4)9-15-16(13)7-3/h9,11,14H,5-8,10H2,1-4H3
InChIKeyWFEURFRQJKNVGF-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.99
Rot. Bonds9

About N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine

N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine (PubChem CID 114649117) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine
PubChem CID114649117
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine
SMILESCCCOCC(NCC)c1c(OC)cnn1CC
InChIInChI=1S/C13H25N3O2/c1-5-8-18-10-11(14-6-2)13-12(17-4)9-15-16(13)7-3/h9,11,14H,5-8,10H2,1-4H3
InChIKeyWFEURFRQJKNVGF-UHFFFAOYSA-N
XLogP1.99
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine
CID 114649130
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine
CID 114648667
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216379
4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine
CID 105186607
N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine
CID 114648681
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 114649115
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114658002
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxy-2-methylbutan-1-amine
CID 114661573
[3-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propyl]hydrazine
CID 105339460
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine
CID 105047933
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine
CID 105048951
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928708

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine?
The IUPAC name of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine (CID 114649117) is N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine.
What is the SMILES notation for N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine?
The canonical SMILES for N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine is CCCOCC(NCC)c1c(OC)cnn1CC.
What is the InChIKey of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine?
The InChIKey is WFEURFRQJKNVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-8-18-10-11(14-6-2)13-12(17-4)9-15-16(13)7-3/h9,11,14H,5-8,10H2,1-4H3.
What are the key properties of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine?
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine has a molecular weight of 255.36 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine is sourced from PubChem (CID 114649117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).