2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine

C12H19N3O — CID 104811769

IUPAC2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine
SMILESCC#CCCn1nccc1CNCCOC
InChIInChI=1S/C12H19N3O/c1-3-4-5-9-15-12(6-7-14-15)11-13-8-10-16-2/h6-7,13H,5,8-11H2,1-2H3
InChIKeyZQIPIMSEZFMFPV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.03
Rot. Bonds7

About 2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine

2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine (PubChem CID 104811769) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine
PubChem CID104811769
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine
SMILESCC#CCCn1nccc1CNCCOC
InChIInChI=1S/C12H19N3O/c1-3-4-5-9-15-12(6-7-14-15)11-13-8-10-16-2/h6-7,13H,5,8-11H2,1-2H3
InChIKeyZQIPIMSEZFMFPV-UHFFFAOYSA-N
XLogP1.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[(2-pent-3-ynylpyrazol-3-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-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 126964497
5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine
CID 114130077
2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 107054683
N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide
CID 114556095
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
2-[2-[(2-ethylpyrazol-3-yl)methylamino]ethoxy]ethanol
CID 75525234
N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 104567615
[2-(2-methoxyethyl)pyrazol-3-yl]methanol
CID 118157229
N-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-3-yl]methyl]propan-2-amine
CID 104567613
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889
4-[[[2-(3-methoxypropyl)pyrazol-3-yl]methylamino]methyl]benzoic acid
CID 122036064
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 103005563

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine (CID 104811769) is 2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine is CC#CCCn1nccc1CNCCOC.
What is the InChIKey of 2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is ZQIPIMSEZFMFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-4-5-9-15-12(6-7-14-15)11-13-8-10-16-2/h6-7,13H,5,8-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine?
2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 104811769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).