2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol

C21H24FN3O2 — CID 121417893

IUPAC2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol
SMILESCN(CCOC(c1ccccc1O)c1ccnn1C)Cc1cccc(F)c1
InChIInChI=1S/C21H24FN3O2/c1-24(15-16-6-5-7-17(22)14-16)12-13-27-21(19-10-11-23-25(19)2)18-8-3-4-9-20(18)26/h3-11,14,21,26H,12-13,15H2,1-2H3
InChIKeyGKNHWIAAOHIGHB-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.50
Rot. Bonds8

About 2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol

2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol (PubChem CID 121417893) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol.

Molecular Properties

Compound Name2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol
PubChem CID121417893
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol
SMILESCN(CCOC(c1ccccc1O)c1ccnn1C)Cc1cccc(F)c1
InChIInChI=1S/C21H24FN3O2/c1-24(15-16-6-5-7-17(22)14-16)12-13-27-21(19-10-11-23-25(19)2)18-8-3-4-9-20(18)26/h3-11,14,21,26H,12-13,15H2,1-2H3
InChIKeyGKNHWIAAOHIGHB-UHFFFAOYSA-N
XLogP3.50
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methoxy]ethanamine
CID 121417985
N,N-dimethyl-2-[[1-methyl-2-methylidene-3-[[methyl-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]amino]methyl]-3H-pyrazol-2-ium-5-yl]-phenylmethoxy]ethanamine
CID 91185010
2-[2-[(3-fluorophenyl)methyl-methylamino]ethyl]benzoic acid
CID 104548693
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43211967
[3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]boronic acid
CID 81061421
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
CID 8516170
2-[1-(3-fluoro-N-methylanilino)ethyl]phenol
CID 82978399
2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide
CID 78894500
2-[3-[2-[(3-fluorophenyl)methyl-methylamino]ethyl]-1,2-dihydroimidazol-5-yl]pyridine-4-carboxylic acid
CID 138614893
2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide
CID 78815730
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol?
The IUPAC name of 2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol (CID 121417893) is 2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol.
What is the SMILES notation for 2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol?
The canonical SMILES for 2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol is CN(CCOC(c1ccccc1O)c1ccnn1C)Cc1cccc(F)c1.
What is the InChIKey of 2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol?
The InChIKey is GKNHWIAAOHIGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-24(15-16-6-5-7-17(22)14-16)12-13-27-21(19-10-11-23-25(19)2)18-8-3-4-9-20(18)26/h3-11,14,21,26H,12-13,15H2,1-2H3.
What are the key properties of 2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol?
2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol has a molecular weight of 369.44 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol is sourced from PubChem (CID 121417893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).