N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine

C13H23N3O — CID 113347469

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCc1cn(C)nc1CC
InChIInChI=1S/C13H23N3O/c1-5-13-12(9-16(4)15-13)8-14-6-7-17-10-11(2)3/h9,14H,2,5-8,10H2,1,3-4H3
InChIKeySDRIQZZVYXUKJT-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.66
Rot. Bonds8

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine (PubChem CID 113347469) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
PubChem CID113347469
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCc1cn(C)nc1CC
InChIInChI=1S/C13H23N3O/c1-5-13-12(9-16(4)15-13)8-14-6-7-17-10-11(2)3/h9,14H,2,5-8,10H2,1,3-4H3
InChIKeySDRIQZZVYXUKJT-UHFFFAOYSA-N
XLogP1.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-but-3-enoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 103894055
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 112549222
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-phenoxyethanamine
CID 112549164
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine
CID 103893940
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 112549263
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
ethyl 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate
CID 112668881
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 102810418
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methylprop-2-enyl)urea
CID 91661490
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115885370
2-(2-aminoethoxy)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 112669329
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 102810428

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine (CID 113347469) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine is C=C(C)COCCNCc1cn(C)nc1CC.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The InChIKey is SDRIQZZVYXUKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-13-12(9-16(4)15-13)8-14-6-7-17-10-11(2)3/h9,14H,2,5-8,10H2,1,3-4H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine is sourced from PubChem (CID 113347469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).