1-[5-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone

C24H27F2N3O2 — CID 173025898

IUPAC1-[5-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone
SMILESO=C(Cc1ccccc1CCCN1CCOCC1)N1CCC(c2cc(F)ccc2F)=N1
InChIInChI=1S/C24H27F2N3O2/c25-20-7-8-22(26)21(17-20)23-9-11-29(27-23)24(30)16-19-5-2-1-4-18(19)6-3-10-28-12-14-31-15-13-28/h1-2,4-5,7-8,17H,3,6,9-16H2
InChIKeyJSXDPIVYCXSBPR-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.41
Rot. Bonds7

About 1-[5-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone

1-[5-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone (PubChem CID 173025898) has the molecular formula C24H27F2N3O2 and a molecular weight of 427.50 g/mol. Its IUPAC name is 1-[5-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone
PubChem CID173025898
Molecular FormulaC24H27F2N3O2
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name1-[5-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone
SMILESO=C(Cc1ccccc1CCCN1CCOCC1)N1CCC(c2cc(F)ccc2F)=N1
InChIInChI=1S/C24H27F2N3O2/c25-20-7-8-22(26)21(17-20)23-9-11-29(27-23)24(30)16-19-5-2-1-4-18(19)6-3-10-28-12-14-31-15-13-28/h1-2,4-5,7-8,17H,3,6,9-16H2
InChIKeyJSXDPIVYCXSBPR-UHFFFAOYSA-N
XLogP3.41
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[2-(2-fluorophenyl)phenyl]propyl]morpholine
CID 170869953
1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone
CID 86097008
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one
CID 54071748
2-(4-morpholin-4-ylbutyl)phenol
CID 142043469
N-(3-morpholin-4-ylpropyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55347239
3-fluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869738
4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine
CID 170869222
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-[3-(6-fluoro-1-methylindol-3-yl)propyl]morpholine
CID 170871004
4-[3-[2-(4-chloro-3-fluorophenoxy)phenyl]propyl]morpholine
CID 170870231
4-[3-[2-(4-benzylpiperazin-1-yl)-5-fluorophenyl]propyl]morpholine
CID 170870600

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone?
The IUPAC name of 1-[5-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone (CID 173025898) is 1-[5-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone.
What is the SMILES notation for 1-[5-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone?
The canonical SMILES for 1-[5-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone is O=C(Cc1ccccc1CCCN1CCOCC1)N1CCC(c2cc(F)ccc2F)=N1.
What is the InChIKey of 1-[5-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone?
The InChIKey is JSXDPIVYCXSBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O2/c25-20-7-8-22(26)21(17-20)23-9-11-29(27-23)24(30)16-19-5-2-1-4-18(19)6-3-10-28-12-14-31-15-13-28/h1-2,4-5,7-8,17H,3,6,9-16H2.
What are the key properties of 1-[5-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone?
1-[5-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone has a molecular weight of 427.50 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone is sourced from PubChem (CID 173025898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).