2-methoxy-5-[[2-(1-phenylpyrazol-3-yl)ethylamino]methyl]phenol

C19H21N3O2 — CID 56822904

IUPAC2-methoxy-5-[[2-(1-phenylpyrazol-3-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(CNCCc2ccn(-c3ccccc3)n2)cc1O
InChIInChI=1S/C19H21N3O2/c1-24-19-8-7-15(13-18(19)23)14-20-11-9-16-10-12-22(21-16)17-5-3-2-4-6-17/h2-8,10,12-13,20,23H,9,11,14H2,1H3
InChIKeyNRZOHSWOPOHDAI-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.92
Rot. Bonds7

About 2-methoxy-5-[[2-(1-phenylpyrazol-3-yl)ethylamino]methyl]phenol

2-methoxy-5-[[2-(1-phenylpyrazol-3-yl)ethylamino]methyl]phenol (PubChem CID 56822904) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-methoxy-5-[[2-(1-phenylpyrazol-3-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[2-(1-phenylpyrazol-3-yl)ethylamino]methyl]phenol
PubChem CID56822904
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-methoxy-5-[[2-(1-phenylpyrazol-3-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(CNCCc2ccn(-c3ccccc3)n2)cc1O
InChIInChI=1S/C19H21N3O2/c1-24-19-8-7-15(13-18(19)23)14-20-11-9-16-10-12-22(21-16)17-5-3-2-4-6-17/h2-8,10,12-13,20,23H,9,11,14H2,1H3
InChIKeyNRZOHSWOPOHDAI-UHFFFAOYSA-N
XLogP2.92
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-[[2-(1-phenylpyrazol-3-yl)ethylamino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[2-(1-phenylpyrazol-3-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[2-(1-phenylpyrazol-3-yl)ethylamino]methyl]phenol (CID 56822904) is 2-methoxy-5-[[2-(1-phenylpyrazol-3-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[2-(1-phenylpyrazol-3-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[2-(1-phenylpyrazol-3-yl)ethylamino]methyl]phenol is COc1ccc(CNCCc2ccn(-c3ccccc3)n2)cc1O.
What is the InChIKey of 2-methoxy-5-[[2-(1-phenylpyrazol-3-yl)ethylamino]methyl]phenol?
The InChIKey is NRZOHSWOPOHDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-24-19-8-7-15(13-18(19)23)14-20-11-9-16-10-12-22(21-16)17-5-3-2-4-6-17/h2-8,10,12-13,20,23H,9,11,14H2,1H3.
What are the key properties of 2-methoxy-5-[[2-(1-phenylpyrazol-3-yl)ethylamino]methyl]phenol?
2-methoxy-5-[[2-(1-phenylpyrazol-3-yl)ethylamino]methyl]phenol has a molecular weight of 323.40 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[2-(1-phenylpyrazol-3-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 56822904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).