2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride

C8H16ClN3O — CID 126966602

IUPAC2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride
SMILESCOCCNCc1cnn(C)c1.Cl
InChIInChI=1S/C8H15N3O.ClH/c1-11-7-8(6-10-11)5-9-3-4-12-2;/h6-7,9H,3-5H2,1-2H3;1H
InChIKeyBXJLDGXYXCZVNZ-UHFFFAOYSA-N
MW205.69 g/mol
LogP0.58
Rot. Bonds5

About 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride

2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride (PubChem CID 126966602) has the molecular formula C8H16ClN3O and a molecular weight of 205.69 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride
PubChem CID126966602
Molecular FormulaC8H16ClN3O
Molecular Weight205.69 g/mol
Exact Mass205.10
IUPAC Name2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride
SMILESCOCCNCc1cnn(C)c1.Cl
InChIInChI=1S/C8H15N3O.ClH/c1-11-7-8(6-10-11)5-9-3-4-12-2;/h6-7,9H,3-5H2,1-2H3;1H
InChIKeyBXJLDGXYXCZVNZ-UHFFFAOYSA-N
XLogP0.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 50.58
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-(2-methoxyethoxy)-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 28721823
2-(3-methylbutoxy)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 61483675
N-[[1-(3,3-dimethylbutyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 62729779
2-methoxy-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 103005538
2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 103015799
4-[(1-methylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride
CID 126966638
N-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 95930021
2-(4-bromophenoxy)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 54971643
N-[(1-methylpyrazol-4-yl)methyl]-2-phenylethanamine;hydrochloride
CID 126966836
N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62719344
2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine
CID 116793733
2-methoxy-N-[[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methyl]ethanamine
CID 113327305

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride (CID 126966602) is 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride is COCCNCc1cnn(C)c1.Cl.
What is the InChIKey of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride?
The InChIKey is BXJLDGXYXCZVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.ClH/c1-11-7-8(6-10-11)5-9-3-4-12-2;/h6-7,9H,3-5H2,1-2H3;1H.
What are the key properties of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride?
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride has a molecular weight of 205.69 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 126966602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).