4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine

C15H17ClFN3O — CID 122150903

IUPAC4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESFc1ccc(Cl)c(CN2CCOC(Cn3cccn3)C2)c1
InChIInChI=1S/C15H17ClFN3O/c16-15-3-2-13(17)8-12(15)9-19-6-7-21-14(10-19)11-20-5-1-4-18-20/h1-5,8,14H,6-7,9-11H2
InChIKeyVWDUVACAZPHHLI-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.58
Rot. Bonds4

About 4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine

4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 122150903) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID122150903
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
SMILESFc1ccc(Cl)c(CN2CCOC(Cn3cccn3)C2)c1
InChIInChI=1S/C15H17ClFN3O/c16-15-3-2-13(17)8-12(15)9-19-6-7-21-14(10-19)11-20-5-1-4-18-20/h1-5,8,14H,6-7,9-11H2
InChIKeyVWDUVACAZPHHLI-UHFFFAOYSA-N
XLogP2.58
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine 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

(2R)-4-[[2-(difluoromethoxy)phenyl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 124545101
(2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95278653
(2S)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95283755
4-[[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzonitrile
CID 95277532
(2R)-4-[(2,3-difluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)-1,4-oxazepane
CID 99933659
(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95278646
4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81214267
(2R)-4-[(2-chloro-5-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]morpholine
CID 124830182
(2R)-4-[(5-bromothiophen-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95289806
(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95287197
2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine
CID 81213276
3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide
CID 95299116

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of 4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine (CID 122150903) is 4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for 4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for 4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is Fc1ccc(Cl)c(CN2CCOC(Cn3cccn3)C2)c1.
What is the InChIKey of 4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is VWDUVACAZPHHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c16-15-3-2-13(17)8-12(15)9-19-6-7-21-14(10-19)11-20-5-1-4-18-20/h1-5,8,14H,6-7,9-11H2.
What are the key properties of 4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine?
4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 309.77 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 122150903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).