(2R)-2-(3-chloro-4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)morpholine

C15H17ClFN3O — CID 95175708

IUPAC(2R)-2-(3-chloro-4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)morpholine
SMILESFc1ccc([C@@H]2CN(CCn3cccn3)CCO2)cc1Cl
InChIInChI=1S/C15H17ClFN3O/c16-13-10-12(2-3-14(13)17)15-11-19(8-9-21-15)6-7-20-5-1-4-18-20/h1-5,10,15H,6-9,11H2/t15-/m0/s1
InChIKeyMILZRNDVLXBKGL-HNNXBMFYSA-N
MW309.77 g/mol
LogP2.75
Rot. Bonds4

About (2R)-2-(3-chloro-4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)morpholine

(2R)-2-(3-chloro-4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)morpholine (PubChem CID 95175708) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)morpholine.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)morpholine
PubChem CID95175708
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name(2R)-2-(3-chloro-4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)morpholine
SMILESFc1ccc([C@@H]2CN(CCn3cccn3)CCO2)cc1Cl
InChIInChI=1S/C15H17ClFN3O/c16-13-10-12(2-3-14(13)17)15-11-19(8-9-21-15)6-7-20-5-1-4-18-20/h1-5,10,15H,6-9,11H2/t15-/m0/s1
InChIKeyMILZRNDVLXBKGL-HNNXBMFYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)morpholine?
The IUPAC name of (2R)-2-(3-chloro-4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)morpholine (CID 95175708) is (2R)-2-(3-chloro-4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)morpholine.
What is the SMILES notation for (2R)-2-(3-chloro-4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)morpholine?
The canonical SMILES for (2R)-2-(3-chloro-4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)morpholine is Fc1ccc([C@@H]2CN(CCn3cccn3)CCO2)cc1Cl.
What is the InChIKey of (2R)-2-(3-chloro-4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)morpholine?
The InChIKey is MILZRNDVLXBKGL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c16-13-10-12(2-3-14(13)17)15-11-19(8-9-21-15)6-7-20-5-1-4-18-20/h1-5,10,15H,6-9,11H2/t15-/m0/s1.
What are the key properties of (2R)-2-(3-chloro-4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)morpholine?
(2R)-2-(3-chloro-4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)morpholine has a molecular weight of 309.77 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)morpholine is sourced from PubChem (CID 95175708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).