(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine

C15H18ClN3O — CID 155765827

IUPAC(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine
SMILESCn1ccc([C@H]2CN[C@@H](Cc3ccc(Cl)cc3)CO2)n1
InChIInChI=1S/C15H18ClN3O/c1-19-7-6-14(18-19)15-9-17-13(10-20-15)8-11-2-4-12(16)5-3-11/h2-7,13,15,17H,8-10H2,1H3/t13-,15+/m0/s1
InChIKeyYFONOYXKXHFCEW-DZGCQCFKSA-N
MW291.78 g/mol
LogP2.35
Rot. Bonds3

About (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine

(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine (PubChem CID 155765827) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine.

Molecular Properties

Compound Name(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine
PubChem CID155765827
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine
SMILESCn1ccc([C@H]2CN[C@@H](Cc3ccc(Cl)cc3)CO2)n1
InChIInChI=1S/C15H18ClN3O/c1-19-7-6-14(18-19)15-9-17-13(10-20-15)8-11-2-4-12(16)5-3-11/h2-7,13,15,17H,8-10H2,1H3/t13-,15+/m0/s1
InChIKeyYFONOYXKXHFCEW-DZGCQCFKSA-N
XLogP2.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine
CID 169042690
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine
CID 163211298
(1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol
CID 170360607
3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol
CID 155765794
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride
CID 155765890
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine
CID 170360871
(2S,5S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylpiperazine
CID 169042731
(2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-methylpyrazol-3-yl)cyclohexyl]-2-(methylsulfonylmethyl)morpholine
CID 169320923
1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]prop-2-yn-1-one
CID 155577166
3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;3-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-methylpyrazol-3-yl)morpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine;bis(2,2,2-trifluoroacetic acid)
CID 159365054
1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile
CID 155577047
ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate
CID 170364767

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine?
The IUPAC name of (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine (CID 155765827) is (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine.
What is the SMILES notation for (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine?
The canonical SMILES for (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine is Cn1ccc([C@H]2CN[C@@H](Cc3ccc(Cl)cc3)CO2)n1.
What is the InChIKey of (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine?
The InChIKey is YFONOYXKXHFCEW-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-19-7-6-14(18-19)15-9-17-13(10-20-15)8-11-2-4-12(16)5-3-11/h2-7,13,15,17H,8-10H2,1H3/t13-,15+/m0/s1.
What are the key properties of (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine?
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine has a molecular weight of 291.78 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine is sourced from PubChem (CID 155765827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).