2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol

C14H19N3O2 — CID 86812024

IUPAC2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol
SMILESCOc1ccc(CNCCCn2cccn2)cc1O
InChIInChI=1S/C14H19N3O2/c1-19-14-5-4-12(10-13(14)18)11-15-6-2-8-17-9-3-7-16-17/h3-5,7,9-10,15,18H,2,6,8,11H2,1H3
InChIKeyLPZNRGWGXIKZKB-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.78
Rot. Bonds7

About 2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol

2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol (PubChem CID 86812024) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol
PubChem CID86812024
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol
SMILESCOc1ccc(CNCCCn2cccn2)cc1O
InChIInChI=1S/C14H19N3O2/c1-19-14-5-4-12(10-13(14)18)11-15-6-2-8-17-9-3-7-16-17/h3-5,7,9-10,15,18H,2,6,8,11H2,1H3
InChIKeyLPZNRGWGXIKZKB-UHFFFAOYSA-N
XLogP1.78
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(azocan-1-yl)-3-[2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propan-2-ol
CID 45200364
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115592087
1-[2-hydroxy-3-[2-methoxy-4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]propyl]piperidin-4-ol
CID 45232482
N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
CID 107038897
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115592070
1-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111903720
2-fluoro-4-[(3-pyrazol-1-ylpropylamino)methyl]benzoic acid
CID 106700408
N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide
CID 115592031
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol
CID 113340286
N-[(3-bromo-5-methoxy-4-pyridinyl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 126833128
N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine
CID 155449267
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111905116

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol?
The IUPAC name of 2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol (CID 86812024) is 2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol?
The canonical SMILES for 2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol is COc1ccc(CNCCCn2cccn2)cc1O.
What is the InChIKey of 2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol?
The InChIKey is LPZNRGWGXIKZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-19-14-5-4-12(10-13(14)18)11-15-6-2-8-17-9-3-7-16-17/h3-5,7,9-10,15,18H,2,6,8,11H2,1H3.
What are the key properties of 2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol?
2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol has a molecular weight of 261.33 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol is sourced from PubChem (CID 86812024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).