2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine

C15H27N3O — CID 65165295

IUPAC2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
SMILESCCNCCc1c(C)nn(CCC2CCCO2)c1C
InChIInChI=1S/C15H27N3O/c1-4-16-9-7-15-12(2)17-18(13(15)3)10-8-14-6-5-11-19-14/h14,16H,4-11H2,1-3H3
InChIKeyXVXIFGOLIFJDJD-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.22
Rot. Bonds7

About 2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine

2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine (PubChem CID 65165295) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
PubChem CID65165295
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
SMILESCCNCCc1c(C)nn(CCC2CCCO2)c1C
InChIInChI=1S/C15H27N3O/c1-4-16-9-7-15-12(2)17-18(13(15)3)10-8-14-6-5-11-19-14/h14,16H,4-11H2,1-3H3
InChIKeyXVXIFGOLIFJDJD-UHFFFAOYSA-N
XLogP2.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 63106546
4-(chloromethyl)-3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazole
CID 65161690
N-[2-[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]ethyl]propan-2-amine
CID 65165350
N-(oxolan-2-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 63104701
N-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65165270
2-[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-ethylethanamine
CID 103140559
1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol
CID 65165219
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 79550524
N-ethyl-2-[1-[3-(oxolan-2-yl)propyl]imidazol-4-yl]ethanamine
CID 79986071
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 71689007
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 55088130

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine?
The IUPAC name of 2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine (CID 65165295) is 2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine is CCNCCc1c(C)nn(CCC2CCCO2)c1C.
What is the InChIKey of 2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine?
The InChIKey is XVXIFGOLIFJDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-16-9-7-15-12(2)17-18(13(15)3)10-8-14-6-5-11-19-14/h14,16H,4-11H2,1-3H3.
What are the key properties of 2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine?
2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 65165295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).