1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine

C15H27N3O2 — CID 104705779

IUPAC1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
SMILESCCn1nc(C)c(C(C)NCC2(OC)CCOC2)c1C
InChIInChI=1S/C15H27N3O2/c1-6-18-13(4)14(12(3)17-18)11(2)16-9-15(19-5)7-8-20-10-15/h11,16H,6-10H2,1-5H3
InChIKeyKSGULZZTQJQZBW-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.98
Rot. Bonds6

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

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine (PubChem CID 104705779) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
PubChem CID104705779
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
SMILESCCn1nc(C)c(C(C)NCC2(OC)CCOC2)c1C
InChIInChI=1S/C15H27N3O2/c1-6-18-13(4)14(12(3)17-18)11(2)16-9-15(19-5)7-8-20-10-15/h11,16H,6-10H2,1-5H3
InChIKeyKSGULZZTQJQZBW-UHFFFAOYSA-N
XLogP1.98
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine (CID 104705779) is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine is CCn1nc(C)c(C(C)NCC2(OC)CCOC2)c1C.
What is the InChIKey of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
The InChIKey is KSGULZZTQJQZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-18-13(4)14(12(3)17-18)11(2)16-9-15(19-5)7-8-20-10-15/h11,16H,6-10H2,1-5H3.
What are the key properties of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine?
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 104705779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).