1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine

C13H25N3O — CID 82698134

IUPAC1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine
SMILESCCc1nn(CCOC)c(CC)c1C(C)NC
InChIInChI=1S/C13H25N3O/c1-6-11-13(10(3)14-4)12(7-2)16(15-11)8-9-17-5/h10,14H,6-9H2,1-5H3
InChIKeyZIOQSTSILMWJEY-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.93
Rot. Bonds7

About 1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine

1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine (PubChem CID 82698134) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine
PubChem CID82698134
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine
SMILESCCc1nn(CCOC)c(CC)c1C(C)NC
InChIInChI=1S/C13H25N3O/c1-6-11-13(10(3)14-4)12(7-2)16(15-11)8-9-17-5/h10,14H,6-9H2,1-5H3
InChIKeyZIOQSTSILMWJEY-UHFFFAOYSA-N
XLogP1.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-butoxyethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82698129
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697460
1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine
CID 82697714
1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine
CID 113437167
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697256
4-(1-chloroethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole
CID 82700077
1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 104649625
3,5-diethyl-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine
CID 82702606
1-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 82696841
1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 82700203
1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine
CID 82697632
1-(3,5-diethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine
CID 107887130

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine (CID 82698134) is 1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine is CCc1nn(CCOC)c(CC)c1C(C)NC.
What is the InChIKey of 1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine?
The InChIKey is ZIOQSTSILMWJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-11-13(10(3)14-4)12(7-2)16(15-11)8-9-17-5/h10,14H,6-9H2,1-5H3.
What are the key properties of 1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine?
1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine has a molecular weight of 239.36 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 82698134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).