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

C19H17F2N3O — CID 174711203

IUPAC4-[4-[5-(3,4-difluorophenyl)pyrazol-1-yl]phenyl]morpholine
SMILESFc1ccc(-c2ccnn2-c2ccc(N3CCOCC3)cc2)cc1F
InChIInChI=1S/C19H17F2N3O/c20-17-6-1-14(13-18(17)21)19-7-8-22-24(19)16-4-2-15(3-5-16)23-9-11-25-12-10-23/h1-8,13H,9-12H2
InChIKeyJODYGNGNJPEEOQ-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.65
Rot. Bonds3

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

4-[4-[5-(3,4-difluorophenyl)pyrazol-1-yl]phenyl]morpholine (PubChem CID 174711203) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is 4-[4-[5-(3,4-difluorophenyl)pyrazol-1-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(3,4-difluorophenyl)pyrazol-1-yl]phenyl]morpholine
PubChem CID174711203
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name4-[4-[5-(3,4-difluorophenyl)pyrazol-1-yl]phenyl]morpholine
SMILESFc1ccc(-c2ccnn2-c2ccc(N3CCOCC3)cc2)cc1F
InChIInChI=1S/C19H17F2N3O/c20-17-6-1-14(13-18(17)21)19-7-8-22-24(19)16-4-2-15(3-5-16)23-9-11-25-12-10-23/h1-8,13H,9-12H2
InChIKeyJODYGNGNJPEEOQ-UHFFFAOYSA-N
XLogP3.65
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[4-[5-(4-fluorophenyl)pyrazol-1-yl]phenyl]morpholine
CID 70981081
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
4-(4-pyridin-4-ylphenyl)morpholine
CID 91005781
1-methyl-4-[4-(5-phenylpyrazol-1-yl)phenyl]piperazine
CID 70981611
2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde
CID 23005067
1-(2-fluoro-4-morpholin-4-ylphenyl)-5-methyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 58072362
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
5-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole
CID 73053293
2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725487
1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 109411995
4-[2-(5-pyridin-4-ylpyrazol-1-yl)phenyl]morpholine
CID 174700479
4-[2,5-difluoro-4-[4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazin-2-yl]phenyl]morpholine
CID 141275883

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(3,4-difluorophenyl)pyrazol-1-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[5-(3,4-difluorophenyl)pyrazol-1-yl]phenyl]morpholine (CID 174711203) is 4-[4-[5-(3,4-difluorophenyl)pyrazol-1-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[5-(3,4-difluorophenyl)pyrazol-1-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[5-(3,4-difluorophenyl)pyrazol-1-yl]phenyl]morpholine is Fc1ccc(-c2ccnn2-c2ccc(N3CCOCC3)cc2)cc1F.
What is the InChIKey of 4-[4-[5-(3,4-difluorophenyl)pyrazol-1-yl]phenyl]morpholine?
The InChIKey is JODYGNGNJPEEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c20-17-6-1-14(13-18(17)21)19-7-8-22-24(19)16-4-2-15(3-5-16)23-9-11-25-12-10-23/h1-8,13H,9-12H2.
What are the key properties of 4-[4-[5-(3,4-difluorophenyl)pyrazol-1-yl]phenyl]morpholine?
4-[4-[5-(3,4-difluorophenyl)pyrazol-1-yl]phenyl]morpholine has a molecular weight of 341.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(3,4-difluorophenyl)pyrazol-1-yl]phenyl]morpholine is sourced from PubChem (CID 174711203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).