2-[4-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]-N-ethylethanamine

C16H23N3O — CID 105351178

IUPAC2-[4-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]-N-ethylethanamine
SMILESCCNCCc1ccc(COc2cc(C)nn2C)cc1
InChIInChI=1S/C16H23N3O/c1-4-17-10-9-14-5-7-15(8-6-14)12-20-16-11-13(2)18-19(16)3/h5-8,11,17H,4,9-10,12H2,1-3H3
InChIKeyFTCLWXGGHLYJER-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.46
Rot. Bonds7

About 2-[4-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]-N-ethylethanamine

2-[4-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]-N-ethylethanamine (PubChem CID 105351178) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[4-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]-N-ethylethanamine
PubChem CID105351178
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[4-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]-N-ethylethanamine
SMILESCCNCCc1ccc(COc2cc(C)nn2C)cc1
InChIInChI=1S/C16H23N3O/c1-4-17-10-9-14-5-7-15(8-6-14)12-20-16-11-13(2)18-19(16)3/h5-8,11,17H,4,9-10,12H2,1-3H3
InChIKeyFTCLWXGGHLYJER-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]-N-ethylethanamine?
The IUPAC name of 2-[4-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]-N-ethylethanamine (CID 105351178) is 2-[4-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]-N-ethylethanamine.
What is the SMILES notation for 2-[4-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]-N-ethylethanamine?
The canonical SMILES for 2-[4-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]-N-ethylethanamine is CCNCCc1ccc(COc2cc(C)nn2C)cc1.
What is the InChIKey of 2-[4-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]-N-ethylethanamine?
The InChIKey is FTCLWXGGHLYJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-17-10-9-14-5-7-15(8-6-14)12-20-16-11-13(2)18-19(16)3/h5-8,11,17H,4,9-10,12H2,1-3H3.
What are the key properties of 2-[4-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]-N-ethylethanamine?
2-[4-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]-N-ethylethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethylpyrazol-3-yl)oxymethyl]phenyl]-N-ethylethanamine is sourced from PubChem (CID 105351178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).