N-methyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine

C11H19N3O — CID 63962872

IUPACN-methyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1ccnn1C
InChIInChI=1S/C11H19N3O/c1-12-10(8-9-4-3-7-15-9)11-5-6-13-14(11)2/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyDBEDXRILWKOWAF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.25
Rot. Bonds4

About N-methyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine

N-methyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine (PubChem CID 63962872) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-methyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
PubChem CID63962872
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-methyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1ccnn1C
InChIInChI=1S/C11H19N3O/c1-12-10(8-9-4-3-7-15-9)11-5-6-13-14(11)2/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyDBEDXRILWKOWAF-UHFFFAOYSA-N
XLogP1.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine (CID 63962872) is N-methyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine is CNC(CC1CCCO1)c1ccnn1C.
What is the InChIKey of N-methyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is DBEDXRILWKOWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-12-10(8-9-4-3-7-15-9)11-5-6-13-14(11)2/h5-6,9-10,12H,3-4,7-8H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
N-methyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 63962872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).