2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine

C13H23N3O — CID 66036894

IUPAC2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine
SMILESC=C(CC)Cn1ncc(CNCCOC)c1C
InChIInChI=1S/C13H23N3O/c1-5-11(2)10-16-12(3)13(9-15-16)8-14-6-7-17-4/h9,14H,2,5-8,10H2,1,3-4H3
InChIKeyIAMYXROBYNPWNK-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.89
Rot. Bonds8

About 2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine

2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 66036894) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID66036894
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine
SMILESC=C(CC)Cn1ncc(CNCCOC)c1C
InChIInChI=1S/C13H23N3O/c1-5-11(2)10-16-12(3)13(9-15-16)8-14-6-7-17-4/h9,14H,2,5-8,10H2,1,3-4H3
InChIKeyIAMYXROBYNPWNK-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
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-methoxy-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]ethanamine
CID 83169846
N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 66442755
N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 66442547
N-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66441716
2-methoxy-N-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440069
N-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440607
3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 122166110
2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine
CID 66047570
N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66442415
N-[[5-bromo-3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]-2-methoxyethanamine
CID 115961747
2-methoxy-N-[[1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]ethanamine
CID 79185622
N-[[1-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440486

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine (CID 66036894) is 2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine is C=C(CC)Cn1ncc(CNCCOC)c1C.
What is the InChIKey of 2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is IAMYXROBYNPWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-11(2)10-16-12(3)13(9-15-16)8-14-6-7-17-4/h9,14H,2,5-8,10H2,1,3-4H3.
What are the key properties of 2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66036894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).