N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine

C14H27N3O2 — CID 114649130

IUPACN-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine
SMILESCCCOCC(NCC)c1c(OC)cnn1CCC
InChIInChI=1S/C14H27N3O2/c1-5-8-17-14(13(18-4)10-16-17)12(15-7-3)11-19-9-6-2/h10,12,15H,5-9,11H2,1-4H3
InChIKeyRSHYRHJCOPZMMD-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.38
Rot. Bonds10

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

N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine (PubChem CID 114649130) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine
PubChem CID114649130
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine
SMILESCCCOCC(NCC)c1c(OC)cnn1CCC
InChIInChI=1S/C14H27N3O2/c1-5-8-17-14(13(18-4)10-16-17)12(15-7-3)11-19-9-6-2/h10,12,15H,5-9,11H2,1-4H3
InChIKeyRSHYRHJCOPZMMD-UHFFFAOYSA-N
XLogP2.38
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine
CID 114649117
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 114649115
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-3,3-dimethylbutan-1-amine
CID 114651925
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine
CID 114648667
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine
CID 105048951
2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 103169677
2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 105048780
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216379
N-ethyl-2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114657709
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-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105187077

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine?
The IUPAC name of N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine (CID 114649130) is N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine.
What is the SMILES notation for N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine?
The canonical SMILES for N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine is CCCOCC(NCC)c1c(OC)cnn1CCC.
What is the InChIKey of N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine?
The InChIKey is RSHYRHJCOPZMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-8-17-14(13(18-4)10-16-17)12(15-7-3)11-19-9-6-2/h10,12,15H,5-9,11H2,1-4H3.
What are the key properties of N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine?
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine has a molecular weight of 269.39 g/mol, XLogP of 2.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine is sourced from PubChem (CID 114649130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).