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

C8H15N3O — CID 43663434

IUPAC2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1cn[nH]c1C
InChIInChI=1S/C8H15N3O/c1-7-8(6-10-11-7)5-9-3-4-12-2/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyRCOVOMSEXXEHPC-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.45
Rot. Bonds5

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

2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 43663434) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID43663434
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1cn[nH]c1C
InChIInChI=1S/C8H15N3O/c1-7-8(6-10-11-7)5-9-3-4-12-2/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyRCOVOMSEXXEHPC-UHFFFAOYSA-N
XLogP0.45
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Methyl-N-[(3-methyl-1H-pyrazol-4-yl)methyl]amine
CID 23005762
methyl((3-methyl-1H-pyrazol-4-yl)methyl)amine dihydrochloride
CID 121553850
2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}propan-1-ol
CID 43663748
N-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 46986896
2-methyl-1-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}propan-2-ol
CID 63932283
1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-piperidin-1-ylpropan-2-ol
CID 86771895
1-(2-methylpropoxy)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 86808943
4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]morpholine
CID 68046364
2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43663422
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61068856
3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 63226414
N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66439916

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine (CID 43663434) is 2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine is COCCNCc1cn[nH]c1C.
What is the InChIKey of 2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is RCOVOMSEXXEHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7-8(6-10-11-7)5-9-3-4-12-2/h6,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 169.23 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43663434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).