2-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]phenyl]morpholine

C19H22ClN3O — CID 78140434

IUPAC2-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]phenyl]morpholine
SMILESClc1ccc(C2CC(c3ccc(C4CNCCO4)cc3)NN2)cc1
InChIInChI=1S/C19H22ClN3O/c20-16-7-5-14(6-8-16)18-11-17(22-23-18)13-1-3-15(4-2-13)19-12-21-9-10-24-19/h1-8,17-19,21-23H,9-12H2
InChIKeyDOTVKUSGYMUEJT-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.28
Rot. Bonds3

About 2-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]phenyl]morpholine

2-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]phenyl]morpholine (PubChem CID 78140434) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name2-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]phenyl]morpholine
PubChem CID78140434
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]phenyl]morpholine
SMILESClc1ccc(C2CC(c3ccc(C4CNCCO4)cc3)NN2)cc1
InChIInChI=1S/C19H22ClN3O/c20-16-7-5-14(6-8-16)18-11-17(22-23-18)13-1-3-15(4-2-13)19-12-21-9-10-24-19/h1-8,17-19,21-23H,9-12H2
InChIKeyDOTVKUSGYMUEJT-UHFFFAOYSA-N
XLogP3.28
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-[5-(2,4-difluorophenyl)pyrazolidin-3-yl]phenyl]morpholine
CID 121493762
(2R)-2-[4-[5-(2,4-difluorophenyl)pyrazolidin-3-yl]phenyl]morpholine
CID 121493763
(2S)-2-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine
CID 121493766
(2R)-2-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine
CID 121493768
2-[4-[5-(4-Fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine
CID 78140435
3-fluoro-4-[5-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidin-3-yl]benzonitrile
CID 121493770
(2S)-2-[3-fluoro-4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine
CID 121493773
(2R)-2-[3-fluoro-4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine
CID 121493774
2-[4-[5-(3-Chlorophenyl)pyrazolidin-3-yl]phenyl]morpholine
CID 78133126
(2R)-2-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]phenyl]morpholine
CID 121493761
4-[5-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidin-3-yl]benzonitrile
CID 121493765
4-[5-(4-Morpholin-2-ylphenyl)pyrazolidin-3-yl]benzonitrile
CID 78140437

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]phenyl]morpholine?
The IUPAC name of 2-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]phenyl]morpholine (CID 78140434) is 2-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]phenyl]morpholine.
What is the SMILES notation for 2-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]phenyl]morpholine?
The canonical SMILES for 2-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]phenyl]morpholine is Clc1ccc(C2CC(c3ccc(C4CNCCO4)cc3)NN2)cc1.
What is the InChIKey of 2-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]phenyl]morpholine?
The InChIKey is DOTVKUSGYMUEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-16-7-5-14(6-8-16)18-11-17(22-23-18)13-1-3-15(4-2-13)19-12-21-9-10-24-19/h1-8,17-19,21-23H,9-12H2.
What are the key properties of 2-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]phenyl]morpholine?
2-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]phenyl]morpholine has a molecular weight of 343.86 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]phenyl]morpholine is sourced from PubChem (CID 78140434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).