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

C24H28FN3O2 — CID 173025846

IUPAC1-[5-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone
SMILESO=C(Cc1ccccc1CCCN1CCOCC1)N1CCC(c2cccc(F)c2)=N1
InChIInChI=1S/C24H28FN3O2/c25-22-9-3-7-21(17-22)23-10-12-28(26-23)24(29)18-20-6-2-1-5-19(20)8-4-11-27-13-15-30-16-14-27/h1-3,5-7,9,17H,4,8,10-16,18H2
InChIKeyMSHUGARPSXRWNP-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.27
Rot. Bonds7

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

1-[5-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone (PubChem CID 173025846) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone
PubChem CID173025846
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name1-[5-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone
SMILESO=C(Cc1ccccc1CCCN1CCOCC1)N1CCC(c2cccc(F)c2)=N1
InChIInChI=1S/C24H28FN3O2/c25-22-9-3-7-21(17-22)23-10-12-28(26-23)24(29)18-20-6-2-1-5-19(20)8-4-11-27-13-15-30-16-14-27/h1-3,5-7,9,17H,4,8,10-16,18H2
InChIKeyMSHUGARPSXRWNP-UHFFFAOYSA-N
XLogP3.27
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone?
The IUPAC name of 1-[5-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone (CID 173025846) is 1-[5-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone.
What is the SMILES notation for 1-[5-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone?
The canonical SMILES for 1-[5-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone is O=C(Cc1ccccc1CCCN1CCOCC1)N1CCC(c2cccc(F)c2)=N1.
What is the InChIKey of 1-[5-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone?
The InChIKey is MSHUGARPSXRWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c25-22-9-3-7-21(17-22)23-10-12-28(26-23)24(29)18-20-6-2-1-5-19(20)8-4-11-27-13-15-30-16-14-27/h1-3,5-7,9,17H,4,8,10-16,18H2.
What are the key properties of 1-[5-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone?
1-[5-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone has a molecular weight of 409.51 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone is sourced from PubChem (CID 173025846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).