5-[(2-methoxyethylamino)methyl]-1-methylpyrazol-3-amine

C8H16N4O — CID 165451091

IUPAC5-[(2-methoxyethylamino)methyl]-1-methylpyrazol-3-amine
SMILESCOCCNCc1cc(N)nn1C
InChIInChI=1S/C8H16N4O/c1-12-7(5-8(9)11-12)6-10-3-4-13-2/h5,10H,3-4,6H2,1-2H3,(H2,9,11)
InChIKeyDGMIOUQTSCYUDV-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.26
Rot. Bonds5

About 5-[(2-methoxyethylamino)methyl]-1-methylpyrazol-3-amine

5-[(2-methoxyethylamino)methyl]-1-methylpyrazol-3-amine (PubChem CID 165451091) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-1-methylpyrazol-3-amine
PubChem CID165451091
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name5-[(2-methoxyethylamino)methyl]-1-methylpyrazol-3-amine
SMILESCOCCNCc1cc(N)nn1C
InChIInChI=1S/C8H16N4O/c1-12-7(5-8(9)11-12)6-10-3-4-13-2/h5,10H,3-4,6H2,1-2H3,(H2,9,11)
InChIKeyDGMIOUQTSCYUDV-UHFFFAOYSA-N
XLogP-0.26
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate
CID 83211873
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 126964497
N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
CID 66406638
N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 63807050
2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114097894
2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66150173
2-but-3-enoxy-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 106402039
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966602
2-methoxy-N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
CID 113450980
N-[(3-butan-2-ylimidazol-4-yl)methyl]-2-methoxyethanamine
CID 66148790
2-methoxy-N-[[3-(4-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148185
2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-1-methylpyrazol-3-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-1-methylpyrazol-3-amine (CID 165451091) is 5-[(2-methoxyethylamino)methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-1-methylpyrazol-3-amine is COCCNCc1cc(N)nn1C.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-1-methylpyrazol-3-amine?
The InChIKey is DGMIOUQTSCYUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-12-7(5-8(9)11-12)6-10-3-4-13-2/h5,10H,3-4,6H2,1-2H3,(H2,9,11).
What are the key properties of 5-[(2-methoxyethylamino)methyl]-1-methylpyrazol-3-amine?
5-[(2-methoxyethylamino)methyl]-1-methylpyrazol-3-amine has a molecular weight of 184.24 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 165451091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).