N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine

C11H19N3O — CID 103986903

IUPACN-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine
SMILESCNC(CC1CCOC1)c1cnn(C)c1
InChIInChI=1S/C11H19N3O/c1-12-11(5-9-3-4-15-8-9)10-6-13-14(2)7-10/h6-7,9,11-12H,3-5,8H2,1-2H3
InChIKeyBMAPBQOYUISLED-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.11
Rot. Bonds4

About N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine

N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine (PubChem CID 103986903) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine
PubChem CID103986903
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine
SMILESCNC(CC1CCOC1)c1cnn(C)c1
InChIInChI=1S/C11H19N3O/c1-12-11(5-9-3-4-15-8-9)10-6-13-14(2)7-10/h6-7,9,11-12H,3-5,8H2,1-2H3
InChIKeyBMAPBQOYUISLED-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine
CID 65195339
2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485883
2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 103546459
N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine
CID 103012081
1-(furan-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987114
N-methyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103986918
N-ethyl-1-(1-methylpyrazol-4-yl)-3-(oxolan-3-yl)propan-2-amine
CID 113362176
1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987048
N-methyl-2-(oxolan-3-yl)-1-pyrazin-2-ylethanamine
CID 103986939
2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 103986856
2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 103168314
(1-methylpyrazol-4-yl)-(oxolan-3-yl)methanol
CID 61279320

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine (CID 103986903) is N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine is CNC(CC1CCOC1)c1cnn(C)c1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine?
The InChIKey is BMAPBQOYUISLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-12-11(5-9-3-4-15-8-9)10-6-13-14(2)7-10/h6-7,9,11-12H,3-5,8H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine?
N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 103986903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).