2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine

C14H27N3O2 — CID 114652904

IUPAC2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1c(OC)cnn1CC)C(C)OCC
InChIInChI=1S/C14H27N3O2/c1-6-9-15-13(11(4)19-8-3)14-12(18-5)10-16-17(14)7-2/h10-11,13,15H,6-9H2,1-5H3
InChIKeyHFRNIZIUKPECCK-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.38
Rot. Bonds9

About 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine

2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine (PubChem CID 114652904) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine
PubChem CID114652904
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1c(OC)cnn1CC)C(C)OCC
InChIInChI=1S/C14H27N3O2/c1-6-9-15-13(11(4)19-8-3)14-12(18-5)10-16-17(14)7-2/h10-11,13,15H,6-9H2,1-5H3
InChIKeyHFRNIZIUKPECCK-UHFFFAOYSA-N
XLogP2.38
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
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

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047694
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105047733
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethoxy-N-propylpropan-1-amine
CID 114652910
N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine
CID 114648681
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylbutan-1-amine
CID 114661034
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928708
N-ethyl-2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114657709
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 114222060
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 114646984
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114651756
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105047944
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine
CID 114651746

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine (CID 114652904) is 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine is CCCNC(c1c(OC)cnn1CC)C(C)OCC.
What is the InChIKey of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine?
The InChIKey is HFRNIZIUKPECCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-6-9-15-13(11(4)19-8-3)14-12(18-5)10-16-17(14)7-2/h10-11,13,15H,6-9H2,1-5H3.
What are the key properties of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine?
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 114652904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).