3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide

C24H26FN5O3 — CID 67997437

IUPAC3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide
SMILESCOc1ccc(-n2nc(CCC(=O)NCCN3CCNC3=O)cc2-c2cccc(F)c2)cc1
InChIInChI=1S/C24H26FN5O3/c1-33-21-8-6-20(7-9-21)30-22(17-3-2-4-18(25)15-17)16-19(28-30)5-10-23(31)26-11-13-29-14-12-27-24(29)32/h2-4,6-9,15-16H,5,10-14H2,1H3,(H,26,31)(H,27,32)
InChIKeyDQDHSUVQAFGPDF-UHFFFAOYSA-N
MW451.50 g/mol
LogP2.76
Rot. Bonds9

About 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide

3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide (PubChem CID 67997437) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide
PubChem CID67997437
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide
SMILESCOc1ccc(-n2nc(CCC(=O)NCCN3CCNC3=O)cc2-c2cccc(F)c2)cc1
InChIInChI=1S/C24H26FN5O3/c1-33-21-8-6-20(7-9-21)30-22(17-3-2-4-18(25)15-17)16-19(28-30)5-10-23(31)26-11-13-29-14-12-27-24(29)32/h2-4,6-9,15-16H,5,10-14H2,1H3,(H,26,31)(H,27,32)
InChIKeyDQDHSUVQAFGPDF-UHFFFAOYSA-N
XLogP2.76
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide?
The IUPAC name of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide (CID 67997437) is 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide is COc1ccc(-n2nc(CCC(=O)NCCN3CCNC3=O)cc2-c2cccc(F)c2)cc1.
What is the InChIKey of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide?
The InChIKey is DQDHSUVQAFGPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-33-21-8-6-20(7-9-21)30-22(17-3-2-4-18(25)15-17)16-19(28-30)5-10-23(31)26-11-13-29-14-12-27-24(29)32/h2-4,6-9,15-16H,5,10-14H2,1H3,(H,26,31)(H,27,32).
What are the key properties of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide?
3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide has a molecular weight of 451.50 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 67997437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).