2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine

C13H23N3O — CID 104999342

IUPAC2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCc1cc(CC(N)C2COC(C)C2)n(C)n1
InChIInChI=1S/C13H23N3O/c1-4-11-6-12(16(3)15-11)7-13(14)10-5-9(2)17-8-10/h6,9-10,13H,4-5,7-8,14H2,1-3H3
InChIKeyLTYSDSLFAFXPET-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.28
Rot. Bonds4

About 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine

2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine (PubChem CID 104999342) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine
PubChem CID104999342
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCc1cc(CC(N)C2COC(C)C2)n(C)n1
InChIInChI=1S/C13H23N3O/c1-4-11-6-12(16(3)15-11)7-13(14)10-5-9(2)17-8-10/h6,9-10,13H,4-5,7-8,14H2,1-3H3
InChIKeyLTYSDSLFAFXPET-UHFFFAOYSA-N
XLogP1.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104999178
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 104996471
1-(1,4-dithian-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 79973099
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 106601395
2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 114825906
2-(1-ethylimidazol-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 105009554
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 105160076
1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065984
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 104999302
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine (CID 104999342) is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine is CCc1cc(CC(N)C2COC(C)C2)n(C)n1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine?
The InChIKey is LTYSDSLFAFXPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-11-6-12(16(3)15-11)7-13(14)10-5-9(2)17-8-10/h6,9-10,13H,4-5,7-8,14H2,1-3H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine?
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 104999342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).