5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol

C14H19N3O2 — CID 104694486

IUPAC5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(CNCCc2ccnn2C)c(O)c1
InChIInChI=1S/C14H19N3O2/c1-17-12(6-8-16-17)5-7-15-10-11-3-4-13(19-2)9-14(11)18/h3-4,6,8-9,15,18H,5,7,10H2,1-2H3
InChIKeyWPUWZZZELIUWER-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.47
Rot. Bonds6

About 5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol

5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol (PubChem CID 104694486) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol
PubChem CID104694486
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(CNCCc2ccnn2C)c(O)c1
InChIInChI=1S/C14H19N3O2/c1-17-12(6-8-16-17)5-7-15-10-11-3-4-13(19-2)9-14(11)18/h3-4,6,8-9,15,18H,5,7,10H2,1-2H3
InChIKeyWPUWZZZELIUWER-UHFFFAOYSA-N
XLogP1.47
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.47
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

N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694398
methyl 2-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetate
CID 103005690
2-hydroxy-5-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693736
5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol
CID 61261961
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
methyl 3-bromo-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzoate
CID 103006355
N-[(2-chloro-4-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106863335
2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 25248276
N-[(2-bromo-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694277
2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol
CID 61263621
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
CID 63829548

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol?
The IUPAC name of 5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol (CID 104694486) is 5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol?
The canonical SMILES for 5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol is COc1ccc(CNCCc2ccnn2C)c(O)c1.
What is the InChIKey of 5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol?
The InChIKey is WPUWZZZELIUWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17-12(6-8-16-17)5-7-15-10-11-3-4-13(19-2)9-14(11)18/h3-4,6,8-9,15,18H,5,7,10H2,1-2H3.
What are the key properties of 5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol?
5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol has a molecular weight of 261.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 104694486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).