2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol

C15H21N3O — CID 19627467

IUPAC2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol
SMILESCCn1cc(C(C)NCc2ccccc2O)c(C)n1
InChIInChI=1S/C15H21N3O/c1-4-18-10-14(12(3)17-18)11(2)16-9-13-7-5-6-8-15(13)19/h5-8,10-11,16,19H,4,9H2,1-3H3
InChIKeyYRZBTZUMPHUYGG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.77
Rot. Bonds5

About 2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol

2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol (PubChem CID 19627467) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol
PubChem CID19627467
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol
SMILESCCn1cc(C(C)NCc2ccccc2O)c(C)n1
InChIInChI=1S/C15H21N3O/c1-4-18-10-14(12(3)17-18)11(2)16-9-13-7-5-6-8-15(13)19/h5-8,10-11,16,19H,4,9H2,1-3H3
InChIKeyYRZBTZUMPHUYGG-UHFFFAOYSA-N
XLogP2.77
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 19625235
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 19625239
N-benzyl-1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine
CID 19625231
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine
CID 19625650
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine
CID 19625559
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 19626689
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19625661
1-(1-ethyl-3-methylpyrazol-4-yl)-N-methylethanamine
CID 23005800
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 19625240
N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 63378794
2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627463
1-(1,3-dimethylpyrazol-4-yl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 65196934

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol (CID 19627467) is 2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol is CCn1cc(C(C)NCc2ccccc2O)c(C)n1.
What is the InChIKey of 2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol?
The InChIKey is YRZBTZUMPHUYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18-10-14(12(3)17-18)11(2)16-9-13-7-5-6-8-15(13)19/h5-8,10-11,16,19H,4,9H2,1-3H3.
What are the key properties of 2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol?
2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol has a molecular weight of 259.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 19627467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).