N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine

C12H23N3O2 — CID 114648681

IUPACN-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine
SMILESCCCNC(COC)c1c(OC)cnn1CC
InChIInChI=1S/C12H23N3O2/c1-5-7-13-10(9-16-3)12-11(17-4)8-14-15(12)6-2/h8,10,13H,5-7,9H2,1-4H3
InChIKeyIBVBXJZLBUAFKH-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.60
Rot. Bonds8

About N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine

N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine (PubChem CID 114648681) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine
PubChem CID114648681
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine
SMILESCCCNC(COC)c1c(OC)cnn1CC
InChIInChI=1S/C12H23N3O2/c1-5-7-13-10(9-16-3)12-11(17-4)8-14-15(12)6-2/h8,10,13H,5-7,9H2,1-4H3
InChIKeyIBVBXJZLBUAFKH-UHFFFAOYSA-N
XLogP1.60
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine
CID 114648667
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928708
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine
CID 114649117
N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114649457
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047694
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-propylpropan-1-amine
CID 114652904
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105047733
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 114646984
1-(1-ethyl-4-methoxypyrazol-5-yl)pentylhydrazine
CID 105245644
4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine
CID 105186607
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216379

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine (CID 114648681) is N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine is CCCNC(COC)c1c(OC)cnn1CC.
What is the InChIKey of N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine?
The InChIKey is IBVBXJZLBUAFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-7-13-10(9-16-3)12-11(17-4)8-14-15(12)6-2/h8,10,13H,5-7,9H2,1-4H3.
What are the key properties of N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine?
N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine is sourced from PubChem (CID 114648681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).