N-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

C17H31N3O — CID 104991805

IUPACN-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C(CC)CC)n1)C1CCOC1C
InChIInChI=1S/C17H31N3O/c1-5-15(6-2)20-10-8-14(19-20)12-17(18-7-3)16-9-11-21-13(16)4/h8,10,13,15-18H,5-7,9,11-12H2,1-4H3
InChIKeyUTADRVJYEYKTQD-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.19
Rot. Bonds8

About N-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

N-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (PubChem CID 104991805) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
PubChem CID104991805
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C(CC)CC)n1)C1CCOC1C
InChIInChI=1S/C17H31N3O/c1-5-15(6-2)20-10-8-14(19-20)12-17(18-7-3)16-9-11-21-13(16)4/h8,10,13,15-18H,5-7,9,11-12H2,1-4H3
InChIKeyUTADRVJYEYKTQD-UHFFFAOYSA-N
XLogP3.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991828
N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 65422373
2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79758152
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 105035095
2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79759747
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 65334393
[1-cyclohexyl-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105201952
2-(3-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79759298
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 106866070
[1-(oxan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105230091
[1-(6-bicyclo[3.1.0]hexanyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105313440
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79962351

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (CID 104991805) is N-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is CCNC(Cc1ccn(C(CC)CC)n1)C1CCOC1C.
What is the InChIKey of N-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The InChIKey is UTADRVJYEYKTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-15(6-2)20-10-8-14(19-20)12-17(18-7-3)16-9-11-21-13(16)4/h8,10,13,15-18H,5-7,9,11-12H2,1-4H3.
What are the key properties of N-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
N-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine has a molecular weight of 293.45 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104991805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).