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

C19H22FN3O — CID 121493766

IUPAC(2S)-2-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine
SMILESFc1ccc(C2CC(c3ccc([C@H]4CNCCO4)cc3)NN2)cc1
InChIInChI=1S/C19H22FN3O/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/t17?,18?,19-/m1/s1
InChIKeyPGKNHULCMFBBOO-CTWPCTMYSA-N
MW327.40 g/mol
LogP2.77
Rot. Bonds3

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

(2S)-2-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine (PubChem CID 121493766) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is (2S)-2-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine
PubChem CID121493766
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name(2S)-2-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine
SMILESFc1ccc(C2CC(c3ccc([C@H]4CNCCO4)cc3)NN2)cc1
InChIInChI=1S/C19H22FN3O/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/t17?,18?,19-/m1/s1
InChIKeyPGKNHULCMFBBOO-CTWPCTMYSA-N
XLogP2.77
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine?
The IUPAC name of (2S)-2-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine (CID 121493766) is (2S)-2-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine.
What is the SMILES notation for (2S)-2-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine?
The canonical SMILES for (2S)-2-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine is Fc1ccc(C2CC(c3ccc([C@H]4CNCCO4)cc3)NN2)cc1.
What is the InChIKey of (2S)-2-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine?
The InChIKey is PGKNHULCMFBBOO-CTWPCTMYSA-N. The full InChI is InChI=1S/C19H22FN3O/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/t17?,18?,19-/m1/s1.
What are the key properties of (2S)-2-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine?
(2S)-2-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine has a molecular weight of 327.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]phenyl]morpholine is sourced from PubChem (CID 121493766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).