(2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine

C19H17F2N3O — CID 71656716

IUPAC(2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine
SMILESFc1ccc(-c2cc(-c3ccc([C@@H]4CNCCO4)cc3F)[nH]n2)cc1
InChIInChI=1S/C19H17F2N3O/c20-14-4-1-12(2-5-14)17-10-18(24-23-17)15-6-3-13(9-16(15)21)19-11-22-7-8-25-19/h1-6,9-10,19,22H,7-8,11H2,(H,23,24)/t19-/m0/s1
InChIKeyDOXYUGSMSNMNNS-IBGZPJMESA-N
MW341.36 g/mol
LogP3.68
Rot. Bonds3

About (2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine

(2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine (PubChem CID 71656716) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is (2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine
PubChem CID71656716
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine
SMILESFc1ccc(-c2cc(-c3ccc([C@@H]4CNCCO4)cc3F)[nH]n2)cc1
InChIInChI=1S/C19H17F2N3O/c20-14-4-1-12(2-5-14)17-10-18(24-23-17)15-6-3-13(9-16(15)21)19-11-22-7-8-25-19/h1-6,9-10,19,22H,7-8,11H2,(H,23,24)/t19-/m0/s1
InChIKeyDOXYUGSMSNMNNS-IBGZPJMESA-N
XLogP3.68
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine?
The IUPAC name of (2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine (CID 71656716) is (2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine.
What is the SMILES notation for (2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine?
The canonical SMILES for (2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine is Fc1ccc(-c2cc(-c3ccc([C@@H]4CNCCO4)cc3F)[nH]n2)cc1.
What is the InChIKey of (2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine?
The InChIKey is DOXYUGSMSNMNNS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17F2N3O/c20-14-4-1-12(2-5-14)17-10-18(24-23-17)15-6-3-13(9-16(15)21)19-11-22-7-8-25-19/h1-6,9-10,19,22H,7-8,11H2,(H,23,24)/t19-/m0/s1.
What are the key properties of (2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine?
(2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine has a molecular weight of 341.36 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine is sourced from PubChem (CID 71656716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).