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

C9H17N3O — CID 43663769

IUPAC2-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCCOCCNCc1cn[nH]c1C
InChIInChI=1S/C9H17N3O/c1-3-13-5-4-10-6-9-7-11-12-8(9)2/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyNPEOSTYNMIWPSO-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.84
Rot. Bonds6

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

2-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 43663769) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID43663769
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCCOCCNCc1cn[nH]c1C
InChIInChI=1S/C9H17N3O/c1-3-13-5-4-10-6-9-7-11-12-8(9)2/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyNPEOSTYNMIWPSO-UHFFFAOYSA-N
XLogP0.84
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 86808372
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
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-[[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]propan-1-amine
CID 64454776

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine (CID 43663769) is 2-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine is CCOCCNCc1cn[nH]c1C.
What is the InChIKey of 2-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is NPEOSTYNMIWPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-13-5-4-10-6-9-7-11-12-8(9)2/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
2-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 183.25 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43663769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).