2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol

C14H19N3O2 — CID 61459821

IUPAC2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol
SMILESCCOc1cccc(CNCCn2cccn2)c1O
InChIInChI=1S/C14H19N3O2/c1-2-19-13-6-3-5-12(14(13)18)11-15-8-10-17-9-4-7-16-17/h3-7,9,15,18H,2,8,10-11H2,1H3
InChIKeyWYURKQJTGMBQAL-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.78
Rot. Bonds7

About 2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol

2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol (PubChem CID 61459821) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol
PubChem CID61459821
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol
SMILESCCOc1cccc(CNCCn2cccn2)c1O
InChIInChI=1S/C14H19N3O2/c1-2-19-13-6-3-5-12(14(13)18)11-15-8-10-17-9-4-7-16-17/h3-7,9,15,18H,2,8,10-11H2,1H3
InChIKeyWYURKQJTGMBQAL-UHFFFAOYSA-N
XLogP1.78
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
CID 63237468
N-[(3-ethoxy-2-methoxyphenyl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115592078
2-ethoxy-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 61238543
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol
CID 103859268
2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 62732395
2-[(3,3-dimethylbutylamino)methyl]-6-ethoxyphenol
CID 115603081
2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol
CID 63329108
2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol
CID 28669757
2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 28657450
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine
CID 111880245
2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol
CID 103701805
2-ethoxy-6-[(3-methylsulfanylbutylamino)methyl]phenol
CID 115604282

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol?
The IUPAC name of 2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol (CID 61459821) is 2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol is CCOc1cccc(CNCCn2cccn2)c1O.
What is the InChIKey of 2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol?
The InChIKey is WYURKQJTGMBQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-19-13-6-3-5-12(14(13)18)11-15-8-10-17-9-4-7-16-17/h3-7,9,15,18H,2,8,10-11H2,1H3.
What are the key properties of 2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol?
2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol has a molecular weight of 261.33 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol is sourced from PubChem (CID 61459821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).