4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine

C16H20FN3O — CID 156608964

IUPAC4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2cc(F)ccc2-n2cccn2)CC(C)O1
InChIInChI=1S/C16H20FN3O/c1-12-9-19(10-13(2)21-12)11-14-8-15(17)4-5-16(14)20-7-3-6-18-20/h3-8,12-13H,9-11H2,1-2H3
InChIKeyOWLASCMFGFOYEW-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.62
Rot. Bonds3

About 4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine

4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine (PubChem CID 156608964) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine
PubChem CID156608964
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2cc(F)ccc2-n2cccn2)CC(C)O1
InChIInChI=1S/C16H20FN3O/c1-12-9-19(10-13(2)21-12)11-14-8-15(17)4-5-16(14)20-7-3-6-18-20/h3-8,12-13H,9-11H2,1-2H3
InChIKeyOWLASCMFGFOYEW-UHFFFAOYSA-N
XLogP2.62
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine with MolForge

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

Launch Full Analysis

Related Compounds

(3S,4S)-1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135113021
2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 45179635
2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
CID 113356760
1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 137341336
2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98588112
1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine
CID 43314016
(1R,8S,9S)-11-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-8-propyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 164695471
(3aR,7aR)-2-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137339931
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 43314015
2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 131927341
[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 131904673
3-(5-fluoro-2-pyrazol-1-ylphenyl)-N,N-dimethylpropan-1-amine
CID 170865603

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine (CID 156608964) is 4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine is CC1CN(Cc2cc(F)ccc2-n2cccn2)CC(C)O1.
What is the InChIKey of 4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine?
The InChIKey is OWLASCMFGFOYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-12-9-19(10-13(2)21-12)11-14-8-15(17)4-5-16(14)20-7-3-6-18-20/h3-8,12-13H,9-11H2,1-2H3.
What are the key properties of 4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine?
4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine has a molecular weight of 289.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 156608964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).