(2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine

C16H20ClN3O — CID 99828049

IUPAC(2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine
SMILESC[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1ccnn1C
InChIInChI=1S/C16H20ClN3O/c1-12-11-21-16(13-4-3-5-14(17)8-13)10-20(12)9-15-6-7-18-19(15)2/h3-8,12,16H,9-11H2,1-2H3/t12-,16-/m0/s1
InChIKeyGJENSCKMUWANTO-LRDDRELGSA-N
MW305.81 g/mol
LogP3.04
Rot. Bonds3

About (2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine

(2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine (PubChem CID 99828049) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is (2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine
PubChem CID99828049
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name(2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine
SMILESC[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1ccnn1C
InChIInChI=1S/C16H20ClN3O/c1-12-11-21-16(13-4-3-5-14(17)8-13)10-20(12)9-15-6-7-18-19(15)2/h3-8,12,16H,9-11H2,1-2H3/t12-,16-/m0/s1
InChIKeyGJENSCKMUWANTO-LRDDRELGSA-N
XLogP3.04
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine?
The IUPAC name of (2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine (CID 99828049) is (2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine.
What is the SMILES notation for (2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine?
The canonical SMILES for (2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine is C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1ccnn1C.
What is the InChIKey of (2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine?
The InChIKey is GJENSCKMUWANTO-LRDDRELGSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-12-11-21-16(13-4-3-5-14(17)8-13)10-20(12)9-15-6-7-18-19(15)2/h3-8,12,16H,9-11H2,1-2H3/t12-,16-/m0/s1.
What are the key properties of (2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine?
(2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine has a molecular weight of 305.81 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine is sourced from PubChem (CID 99828049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).