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

C19H17F2N3O — CID 71656528

IUPAC(2S)-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-/m1/s1
InChIKeySBBCKCFCSKBBPJ-LJQANCHMSA-N
MW341.36 g/mol
LogP3.68
Rot. Bonds3

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

(2S)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine (PubChem CID 71656528) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is (2S)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine
PubChem CID71656528
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(2S)-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-/m1/s1
InChIKeySBBCKCFCSKBBPJ-LJQANCHMSA-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

Analyze (2S)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine?
The IUPAC name of (2S)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine (CID 71656528) is (2S)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine.
What is the SMILES notation for (2S)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine?
The canonical SMILES for (2S)-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 (2S)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine?
The InChIKey is SBBCKCFCSKBBPJ-LJQANCHMSA-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-/m1/s1.
What are the key properties of (2S)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine?
(2S)-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 (2S)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine is sourced from PubChem (CID 71656528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).