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

C11H21N3O2 — CID 114648667

IUPACN-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine
SMILESCCNC(COC)c1c(OC)cnn1CC
InChIInChI=1S/C11H21N3O2/c1-5-12-9(8-15-3)11-10(16-4)7-13-14(11)6-2/h7,9,12H,5-6,8H2,1-4H3
InChIKeyOOXFJNYEMWFHBV-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.21
Rot. Bonds7

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

N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine (PubChem CID 114648667) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine
PubChem CID114648667
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine
SMILESCCNC(COC)c1c(OC)cnn1CC
InChIInChI=1S/C11H21N3O2/c1-5-12-9(8-15-3)11-10(16-4)7-13-14(11)6-2/h7,9,12H,5-6,8H2,1-4H3
InChIKeyOOXFJNYEMWFHBV-UHFFFAOYSA-N
XLogP1.21
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine?
The IUPAC name of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine (CID 114648667) is N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine.
What is the SMILES notation for N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine?
The canonical SMILES for N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine is CCNC(COC)c1c(OC)cnn1CC.
What is the InChIKey of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine?
The InChIKey is OOXFJNYEMWFHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-12-9(8-15-3)11-10(16-4)7-13-14(11)6-2/h7,9,12H,5-6,8H2,1-4H3.
What are the key properties of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine?
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine has a molecular weight of 227.31 g/mol, XLogP of 1.21, 7 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-methoxyethanamine is sourced from PubChem (CID 114648667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).