4-[2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]ethyl]morpholine

C20H20F2N4O — CID 22037761

IUPAC4-[2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]ethyl]morpholine
SMILESFc1ccc(-c2nn(CCN3CCOCC3)cc2-c2ccnc(F)c2)cc1
InChIInChI=1S/C20H20F2N4O/c21-17-3-1-15(2-4-17)20-18(16-5-6-23-19(22)13-16)14-26(24-20)8-7-25-9-11-27-12-10-25/h1-6,13-14H,7-12H2
InChIKeyBNXAVCXCGZFSJH-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.22
Rot. Bonds5

About 4-[2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]ethyl]morpholine

4-[2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]ethyl]morpholine (PubChem CID 22037761) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is 4-[2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]ethyl]morpholine
PubChem CID22037761
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name4-[2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]ethyl]morpholine
SMILESFc1ccc(-c2nn(CCN3CCOCC3)cc2-c2ccnc(F)c2)cc1
InChIInChI=1S/C20H20F2N4O/c21-17-3-1-15(2-4-17)20-18(16-5-6-23-19(22)13-16)14-26(24-20)8-7-25-9-11-27-12-10-25/h1-6,13-14H,7-12H2
InChIKeyBNXAVCXCGZFSJH-UHFFFAOYSA-N
XLogP3.22
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]ethyl]morpholine (CID 22037761) is 4-[2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]ethyl]morpholine is Fc1ccc(-c2nn(CCN3CCOCC3)cc2-c2ccnc(F)c2)cc1.
What is the InChIKey of 4-[2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]ethyl]morpholine?
The InChIKey is BNXAVCXCGZFSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c21-17-3-1-15(2-4-17)20-18(16-5-6-23-19(22)13-16)14-26(24-20)8-7-25-9-11-27-12-10-25/h1-6,13-14H,7-12H2.
What are the key properties of 4-[2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]ethyl]morpholine?
4-[2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]ethyl]morpholine has a molecular weight of 370.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 22037761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).