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

C12H21N3O — CID 63962873

IUPACN-ethyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)c1ccnn1C
InChIInChI=1S/C12H21N3O/c1-3-13-11(9-10-5-4-8-16-10)12-6-7-14-15(12)2/h6-7,10-11,13H,3-5,8-9H2,1-2H3
InChIKeyIHJTUCYCWXQUSZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.64
Rot. Bonds5

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

N-ethyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine (PubChem CID 63962873) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-ethyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
PubChem CID63962873
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-ethyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)c1ccnn1C
InChIInChI=1S/C12H21N3O/c1-3-13-11(9-10-5-4-8-16-10)12-6-7-14-15(12)2/h6-7,10-11,13H,3-5,8-9H2,1-2H3
InChIKeyIHJTUCYCWXQUSZ-UHFFFAOYSA-N
XLogP1.64
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine (CID 63962873) is N-ethyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine is CCNC(CC1CCCO1)c1ccnn1C.
What is the InChIKey of N-ethyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is IHJTUCYCWXQUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-13-11(9-10-5-4-8-16-10)12-6-7-14-15(12)2/h6-7,10-11,13H,3-5,8-9H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine?
N-ethyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 63962873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).