N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine

C12H23N3O — CID 66442755

IUPACN-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
SMILESCCC(C)n1ncc(CNCCOC)c1C
InChIInChI=1S/C12H23N3O/c1-5-10(2)15-11(3)12(9-14-15)8-13-6-7-16-4/h9-10,13H,5-8H2,1-4H3
InChIKeyHSORRVFDKOGTQG-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.90
Rot. Bonds7

About N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine

N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine (PubChem CID 66442755) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
PubChem CID66442755
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
SMILESCCC(C)n1ncc(CNCCOC)c1C
InChIInChI=1S/C12H23N3O/c1-5-10(2)15-11(3)12(9-14-15)8-13-6-7-16-4/h9-10,13H,5-8H2,1-4H3
InChIKeyHSORRVFDKOGTQG-UHFFFAOYSA-N
XLogP1.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 122166110
2-methoxy-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]ethanamine
CID 83169846
2-methoxy-N-[[5-methyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]ethanamine
CID 66036894
N-[(3-butan-2-ylimidazol-4-yl)methyl]-2-methoxyethanamine
CID 66148790
N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 66442547
N-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66441961
2-methoxy-N-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440069
N-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440552
N-[[1-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66442415
N-[[1-(2-ethylbutyl)-2-methylpyrrol-3-yl]methyl]-2-methoxyethanamine
CID 114196120
N-[[1-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440486
N-[[5-ethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66441716

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine (CID 66442755) is N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine is CCC(C)n1ncc(CNCCOC)c1C.
What is the InChIKey of N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The InChIKey is HSORRVFDKOGTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-10(2)15-11(3)12(9-14-15)8-13-6-7-16-4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine?
N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine has a molecular weight of 225.34 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 66442755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).