2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine

C15H27N3O — CID 82699798

IUPAC2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine
SMILESCCc1nn(CCC2CCCO2)c(CC)c1CCN
InChIInChI=1S/C15H27N3O/c1-3-14-13(7-9-16)15(4-2)18(17-14)10-8-12-6-5-11-19-12/h12H,3-11,16H2,1-2H3
InChIKeyALYOGDNUMIPAIL-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.08
Rot. Bonds7

About 2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine

2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine (PubChem CID 82699798) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine
PubChem CID82699798
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine
SMILESCCc1nn(CCC2CCCO2)c(CC)c1CCN
InChIInChI=1S/C15H27N3O/c1-3-14-13(7-9-16)15(4-2)18(17-14)10-8-12-6-5-11-19-12/h12H,3-11,16H2,1-2H3
InChIKeyALYOGDNUMIPAIL-UHFFFAOYSA-N
XLogP2.08
TPSA53.07 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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697791
3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82702523
2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine
CID 82699797
2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine
CID 116618024
2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine
CID 82698599
4-(chloromethyl)-3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazole
CID 65161690
2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine
CID 62730584
1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82697043
2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 65165295
1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine
CID 82697632
3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide
CID 82700004
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 104994465

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine (CID 82699798) is 2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine is CCc1nn(CCC2CCCO2)c(CC)c1CCN.
What is the InChIKey of 2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine?
The InChIKey is ALYOGDNUMIPAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-14-13(7-9-16)15(4-2)18(17-14)10-8-12-6-5-11-19-12/h12H,3-11,16H2,1-2H3.
What are the key properties of 2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine?
2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 82699798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).