2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine

C14H19N3O — CID 43590778

IUPAC2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
SMILESCCOCCNCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H19N3O/c1-2-18-9-8-15-10-13-11-16-17(12-13)14-6-4-3-5-7-14/h3-7,11-12,15H,2,8-10H2,1H3
InChIKeyAFSSMEUBALHSQH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.00
Rot. Bonds7

About 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine

2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine (PubChem CID 43590778) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
PubChem CID43590778
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
SMILESCCOCCNCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H19N3O/c1-2-18-9-8-15-10-13-11-16-17(12-13)14-6-4-3-5-7-14/h3-7,11-12,15H,2,8-10H2,1H3
InChIKeyAFSSMEUBALHSQH-UHFFFAOYSA-N
XLogP2.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.00
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

2-butoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 61169682
3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propan-1-amine
CID 28681591
N',N'-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 16773449
2,2-dimethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 60668857
2,2-dimethyl-4-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 122126840
N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 54896941
2-ethyl-2-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-1-amine
CID 103702185
2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43824526
3-methylsulfinyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-1-amine
CID 115711557
1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 28663771
2-(2-ethoxyethyl)-1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111894812
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline
CID 43823571

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine (CID 43590778) is 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine is CCOCCNCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is AFSSMEUBALHSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-18-9-8-15-10-13-11-16-17(12-13)14-6-4-3-5-7-14/h3-7,11-12,15H,2,8-10H2,1H3.
What are the key properties of 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine?
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43590778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).