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

C19H17F2N3O — CID 71656529

IUPAC(2R)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine
SMILESFc1ccc(-c2cc(-c3ccc([C@@H]4CNCCO4)cc3)n[nH]2)c(F)c1
InChIInChI=1S/C19H17F2N3O/c20-14-5-6-15(16(21)9-14)18-10-17(23-24-18)12-1-3-13(4-2-12)19-11-22-7-8-25-19/h1-6,9-10,19,22H,7-8,11H2,(H,23,24)/t19-/m0/s1
InChIKeySBBCKCFCSKBBPJ-IBGZPJMESA-N
MW341.36 g/mol
LogP3.68
Rot. Bonds3

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

(2R)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine (PubChem CID 71656529) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is (2R)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine
PubChem CID71656529
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(2R)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine
SMILESFc1ccc(-c2cc(-c3ccc([C@@H]4CNCCO4)cc3)n[nH]2)c(F)c1
InChIInChI=1S/C19H17F2N3O/c20-14-5-6-15(16(21)9-14)18-10-17(23-24-18)12-1-3-13(4-2-12)19-11-22-7-8-25-19/h1-6,9-10,19,22H,7-8,11H2,(H,23,24)/t19-/m0/s1
InChIKeySBBCKCFCSKBBPJ-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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Related Compounds

3-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzonitrile
CID 71656527
2-(4-fluorobenzyl)-4-[(3-methyl-1H-pyrazol-5-yl)methyl]morpholine
CID 45201512
{[3-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}({[(2R,3S)-2-phenyloxolan-3-yl]methyl})amine
CID 126769574
5-[2-(Benzyloxy)ethyl]-3-(4-fluorophenyl)-1H-pyrazole
CID 67439036
1-[4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]piperazin-1-yl]ethanone
CID 67991960
4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine
CID 67991968
4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine
CID 67991976
4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine
CID 67992015
2-[(3R,4R)-3-(4-fluorophenyl)-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1-phenylethanol
CID 68206839
4-[3-(4-fluorophenyl)-5-(1-phenylmethoxyethyl)-1H-pyrazol-4-yl]-3,4-dihydropyridine
CID 71022067
2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine
CID 71656423
2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine
CID 71656424

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine?
The IUPAC name of (2R)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine (CID 71656529) is (2R)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine.
What is the SMILES notation for (2R)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine?
The canonical SMILES for (2R)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine is Fc1ccc(-c2cc(-c3ccc([C@@H]4CNCCO4)cc3)n[nH]2)c(F)c1.
What is the InChIKey of (2R)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine?
The InChIKey is SBBCKCFCSKBBPJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17F2N3O/c20-14-5-6-15(16(21)9-14)18-10-17(23-24-18)12-1-3-13(4-2-12)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-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine?
(2R)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-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-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine is sourced from PubChem (CID 71656529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).