N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine

C15H27N3O — CID 55088667

IUPACN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCCc1c(C)nn(CCNC(C)C2CCCO2)c1C
InChIInChI=1S/C15H27N3O/c1-5-14-11(2)17-18(13(14)4)9-8-16-12(3)15-7-6-10-19-15/h12,15-16H,5-10H2,1-4H3
InChIKeyZIJOTMHOLCPJRS-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.22
Rot. Bonds6

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

N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 55088667) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
PubChem CID55088667
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCCc1c(C)nn(CCNC(C)C2CCCO2)c1C
InChIInChI=1S/C15H27N3O/c1-5-14-11(2)17-18(13(14)4)9-8-16-12(3)15-7-6-10-19-15/h12,15-16H,5-10H2,1-4H3
InChIKeyZIJOTMHOLCPJRS-UHFFFAOYSA-N
XLogP2.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine (CID 55088667) is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine is CCc1c(C)nn(CCNC(C)C2CCCO2)c1C.
What is the InChIKey of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is ZIJOTMHOLCPJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-14-11(2)17-18(13(14)4)9-8-16-12(3)15-7-6-10-19-15/h12,15-16H,5-10H2,1-4H3.
What are the key properties of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 55088667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).