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

C12H21N3O — CID 103987048

IUPAC1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
SMILESCCn1nccc1C(CC1CCOC1)NC
InChIInChI=1S/C12H21N3O/c1-3-15-12(4-6-14-15)11(13-2)8-10-5-7-16-9-10/h4,6,10-11,13H,3,5,7-9H2,1-2H3
InChIKeyATRGGEYZMULNLV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.59
Rot. Bonds5

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

1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine (PubChem CID 103987048) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
PubChem CID103987048
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
SMILESCCn1nccc1C(CC1CCOC1)NC
InChIInChI=1S/C12H21N3O/c1-3-15-12(4-6-14-15)11(13-2)8-10-5-7-16-9-10/h4,6,10-11,13H,3,5,7-9H2,1-2H3
InChIKeyATRGGEYZMULNLV-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 115858127
N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine
CID 103986903
N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine
CID 105148508
N-methyl-2-(oxolan-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114689023
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-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330423
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266145
1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine
CID 115858222
2-cyclopentyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858828
1-cyclopentyl-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 63976376
N-methyl-2-(oxolan-3-yl)-1-pyrazin-2-ylethanamine
CID 103986939

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine (CID 103987048) is 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine is CCn1nccc1C(CC1CCOC1)NC.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The InChIKey is ATRGGEYZMULNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-15-12(4-6-14-15)11(13-2)8-10-5-7-16-9-10/h4,6,10-11,13H,3,5,7-9H2,1-2H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine?
1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 103987048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).