2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol

C14H19N3O2 — CID 112705335

IUPAC2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNCc2cn(C)nc2C)c1
InChIInChI=1S/C14H19N3O2/c1-10-12(9-17(2)16-10)8-15-7-11-6-13(19-3)4-5-14(11)18/h4-6,9,15,18H,7-8H2,1-3H3
InChIKeyFZJKOUAERNXEQU-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.73
Rot. Bonds5

About 2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol

2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol (PubChem CID 112705335) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol
PubChem CID112705335
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNCc2cn(C)nc2C)c1
InChIInChI=1S/C14H19N3O2/c1-10-12(9-17(2)16-10)8-15-7-11-6-13(19-3)4-5-14(11)18/h4-6,9,15,18H,7-8H2,1-3H3
InChIKeyFZJKOUAERNXEQU-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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

4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 78963860
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 19618925
4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzene-1,2-diol
CID 112668482
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol
CID 103851725
4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol
CID 103851784
4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698554
2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol
CID 115627586
4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol
CID 54913363
4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol
CID 79353071
2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol
CID 112550131
2-[(but-2-ynylamino)methyl]-4-methoxyphenol
CID 115908793
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol
CID 62222408

Frequently Asked Questions

What is the IUPAC name of 2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol (CID 112705335) is 2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol is COc1ccc(O)c(CNCc2cn(C)nc2C)c1.
What is the InChIKey of 2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol?
The InChIKey is FZJKOUAERNXEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-12(9-17(2)16-10)8-15-7-11-6-13(19-3)4-5-14(11)18/h4-6,9,15,18H,7-8H2,1-3H3.
What are the key properties of 2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol?
2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol has a molecular weight of 261.32 g/mol, XLogP of 1.73, 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)methylamino]methyl]-4-methoxyphenol is sourced from PubChem (CID 112705335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).