N-ethyl-2-methoxy-N-[[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methyl]ethanamine

C14H27N3O — CID 50982267

IUPACN-ethyl-2-methoxy-N-[[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methyl]ethanamine
SMILESCCN(CCOC)Cc1cc(CC(C)C)nn1C
InChIInChI=1S/C14H27N3O/c1-6-17(7-8-18-5)11-14-10-13(9-12(2)3)15-16(14)4/h10,12H,6-9,11H2,1-5H3
InChIKeyOEBCJXPNKPJXPD-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.09
Rot. Bonds8

About N-ethyl-2-methoxy-N-[[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methyl]ethanamine

N-ethyl-2-methoxy-N-[[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methyl]ethanamine (PubChem CID 50982267) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-ethyl-2-methoxy-N-[[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-N-[[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methyl]ethanamine
PubChem CID50982267
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-ethyl-2-methoxy-N-[[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methyl]ethanamine
SMILESCCN(CCOC)Cc1cc(CC(C)C)nn1C
InChIInChI=1S/C14H27N3O/c1-6-17(7-8-18-5)11-14-10-13(9-12(2)3)15-16(14)4/h10,12H,6-9,11H2,1-5H3
InChIKeyOEBCJXPNKPJXPD-UHFFFAOYSA-N
XLogP2.09
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-N-[[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-2-methoxy-N-[[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methyl]ethanamine (CID 50982267) is N-ethyl-2-methoxy-N-[[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-2-methoxy-N-[[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-2-methoxy-N-[[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methyl]ethanamine is CCN(CCOC)Cc1cc(CC(C)C)nn1C.
What is the InChIKey of N-ethyl-2-methoxy-N-[[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methyl]ethanamine?
The InChIKey is OEBCJXPNKPJXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-17(7-8-18-5)11-14-10-13(9-12(2)3)15-16(14)4/h10,12H,6-9,11H2,1-5H3.
What are the key properties of N-ethyl-2-methoxy-N-[[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methyl]ethanamine?
N-ethyl-2-methoxy-N-[[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methyl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-N-[[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 50982267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).