2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol

C14H19N3O2 — CID 115603366

IUPAC2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol
SMILESCOc1c(CNCc2ccccc2O)c(C)nn1C
InChIInChI=1S/C14H19N3O2/c1-10-12(14(19-3)17(2)16-10)9-15-8-11-6-4-5-7-13(11)18/h4-7,15,18H,8-9H2,1-3H3
InChIKeyMYUWWELYTISMTB-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.73
Rot. Bonds5

About 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol

2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol (PubChem CID 115603366) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol
PubChem CID115603366
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol
SMILESCOc1c(CNCc2ccccc2O)c(C)nn1C
InChIInChI=1S/C14H19N3O2/c1-10-12(14(19-3)17(2)16-10)9-15-8-11-6-4-5-7-13(11)18/h4-7,15,18H,8-9H2,1-3H3
InChIKeyMYUWWELYTISMTB-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

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine
CID 119110991
1-(2-bromo-4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 51105241
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 113229317
4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 78963860
1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 51105302
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 115884025
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 51105217
2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanylaniline
CID 115884163
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51105163
N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine
CID 43283185
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 132970502

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol?
The IUPAC name of 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol (CID 115603366) is 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol?
The canonical SMILES for 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol is COc1c(CNCc2ccccc2O)c(C)nn1C.
What is the InChIKey of 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol?
The InChIKey is MYUWWELYTISMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-12(14(19-3)17(2)16-10)9-15-8-11-6-4-5-7-13(11)18/h4-7,15,18H,8-9H2,1-3H3.
What are the key properties of 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol?
2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol 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-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol is sourced from PubChem (CID 115603366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).