2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol

C14H19N3O2 — CID 104954462

IUPAC2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNc2cn(C)nc2C)c1O
InChIInChI=1S/C14H19N3O2/c1-4-19-13-7-5-6-11(14(13)18)8-15-12-9-17(3)16-10(12)2/h5-7,9,15,18H,4,8H2,1-3H3
InChIKeyWUVYPPYWEJTMRS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.44
Rot. Bonds5

About 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol

2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol (PubChem CID 104954462) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol
PubChem CID104954462
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNc2cn(C)nc2C)c1O
InChIInChI=1S/C14H19N3O2/c1-4-19-13-7-5-6-11(14(13)18)8-15-12-9-17(3)16-10(12)2/h5-7,9,15,18H,4,8H2,1-3H3
InChIKeyWUVYPPYWEJTMRS-UHFFFAOYSA-N
XLogP2.44
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 43534946
2-[(3-bromo-2-methylanilino)methyl]-6-ethoxyphenol
CID 103818301
N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866854
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866845
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol
CID 43547329
2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol
CID 28967743
2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol
CID 43726584
2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol
CID 107597220
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]benzoate
CID 51047353
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol
CID 103859268
4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 19627588
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 104954500

Frequently Asked Questions

What is the IUPAC name of 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol?
The IUPAC name of 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol (CID 104954462) is 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol?
The canonical SMILES for 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol is CCOc1cccc(CNc2cn(C)nc2C)c1O.
What is the InChIKey of 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol?
The InChIKey is WUVYPPYWEJTMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-19-13-7-5-6-11(14(13)18)8-15-12-9-17(3)16-10(12)2/h5-7,9,15,18H,4,8H2,1-3H3.
What are the key properties of 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol?
2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol has a molecular weight of 261.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol is sourced from PubChem (CID 104954462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).