(2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine

C17H22ClN3O — CID 125142733

IUPAC(2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine
SMILESCCn1cc(CCN2CCO[C@H](c3cccc(Cl)c3)C2)cn1
InChIInChI=1S/C17H22ClN3O/c1-2-21-12-14(11-19-21)6-7-20-8-9-22-17(13-20)15-4-3-5-16(18)10-15/h3-5,10-12,17H,2,6-9,13H2,1H3/t17-/m0/s1
InChIKeyRMQPRHZYUDSGND-KRWDZBQOSA-N
MW319.84 g/mol
LogP3.17
Rot. Bonds5

About (2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine

(2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine (PubChem CID 125142733) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine
PubChem CID125142733
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name(2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine
SMILESCCn1cc(CCN2CCO[C@H](c3cccc(Cl)c3)C2)cn1
InChIInChI=1S/C17H22ClN3O/c1-2-21-12-14(11-19-21)6-7-20-8-9-22-17(13-20)15-4-3-5-16(18)10-15/h3-5,10-12,17H,2,6-9,13H2,1H3/t17-/m0/s1
InChIKeyRMQPRHZYUDSGND-KRWDZBQOSA-N
XLogP3.17
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
CID 125020601
methyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride
CID 70381407
N-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]ethyl]-N-methylaniline
CID 124622494
2-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)morpholine
CID 68619203
(2R)-2-(6-benzyl-2-pyridinyl)-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
CID 124974858
2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 124622493
(2R)-4-(3,5-dichloro-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)morpholine
CID 100646745
2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride
CID 120849357
(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine
CID 124977152
(2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine
CID 124749992
2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 126804830

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine?
The IUPAC name of (2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine (CID 125142733) is (2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine is CCn1cc(CCN2CCO[C@H](c3cccc(Cl)c3)C2)cn1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine?
The InChIKey is RMQPRHZYUDSGND-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-2-21-12-14(11-19-21)6-7-20-8-9-22-17(13-20)15-4-3-5-16(18)10-15/h3-5,10-12,17H,2,6-9,13H2,1H3/t17-/m0/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine?
(2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine has a molecular weight of 319.84 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine is sourced from PubChem (CID 125142733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).