2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine

C13H25N3O — CID 114941443

IUPAC2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1cn(C)nc1CC
InChIInChI=1S/C13H25N3O/c1-6-12-11(9-16(5)15-12)8-14-10-13(3,4)17-7-2/h9,14H,6-8,10H2,1-5H3
InChIKeyDWTJXNWIIOUDPQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.89
Rot. Bonds7

About 2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine

2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine (PubChem CID 114941443) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
PubChem CID114941443
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1cn(C)nc1CC
InChIInChI=1S/C13H25N3O/c1-6-12-11(9-16(5)15-12)8-14-10-13(3,4)17-7-2/h9,14H,6-8,10H2,1-5H3
InChIKeyDWTJXNWIIOUDPQ-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 115885710
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857471
N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941939
ethyl 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate
CID 112668881
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941895
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-iodophenyl)methanamine
CID 112668872
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 112549095
2-tert-butylsulfonyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 103893977
1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol
CID 103893989
1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115885559
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide
CID 112672097
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of 2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine (CID 114941443) is 2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for 2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine is CCOC(C)(C)CNCc1cn(C)nc1CC.
What is the InChIKey of 2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is DWTJXNWIIOUDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-12-11(9-16(5)15-12)8-14-10-13(3,4)17-7-2/h9,14H,6-8,10H2,1-5H3.
What are the key properties of 2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine?
2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114941443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).