2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine

C14H25N3O — CID 104996471

IUPAC2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1cc(C)nn1C)C1COC(C)C1
InChIInChI=1S/C14H25N3O/c1-5-15-14(12-7-11(3)18-9-12)8-13-6-10(2)16-17(13)4/h6,11-12,14-15H,5,7-9H2,1-4H3
InChIKeySFEVJMZRIVZTGW-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.67
Rot. Bonds5

About 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine

2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine (PubChem CID 104996471) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
PubChem CID104996471
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1cc(C)nn1C)C1COC(C)C1
InChIInChI=1S/C14H25N3O/c1-5-15-14(12-7-11(3)18-9-12)8-13-6-10(2)16-17(13)4/h6,11-12,14-15H,5,7-9H2,1-4H3
InChIKeySFEVJMZRIVZTGW-UHFFFAOYSA-N
XLogP1.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105000580
2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105024778
N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine
CID 114825892
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 106866403
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115388091
N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 104996890
N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115864436
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115842776
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 104999342
1-(2,2-dimethylcyclohexyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 107189434
N-ethyl-2-(furan-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 105029658
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105015814

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine (CID 104996471) is 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine is CCNC(Cc1cc(C)nn1C)C1COC(C)C1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
The InChIKey is SFEVJMZRIVZTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-15-14(12-7-11(3)18-9-12)8-13-6-10(2)16-17(13)4/h6,11-12,14-15H,5,7-9H2,1-4H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 104996471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).