3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylpropyl)propanamide

C28H28FN3O2 — CID 54767742

IUPAC3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)CCc1cc(-c2cccc(F)c2)n(-c2ccc(OC)cc2)n1)c1ccccc1
InChIInChI=1S/C28H28FN3O2/c1-3-26(20-8-5-4-6-9-20)30-28(33)17-12-23-19-27(21-10-7-11-22(29)18-21)32(31-23)24-13-15-25(34-2)16-14-24/h4-11,13-16,18-19,26H,3,12,17H2,1-2H3,(H,30,33)
InChIKeyLTPPTHRKNFMVGI-UHFFFAOYSA-N
MW457.55 g/mol
LogP5.89
Rot. Bonds9

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

3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylpropyl)propanamide (PubChem CID 54767742) has the molecular formula C28H28FN3O2 and a molecular weight of 457.55 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylpropyl)propanamide
PubChem CID54767742
Molecular FormulaC28H28FN3O2
Molecular Weight457.55 g/mol
Exact Mass457.22
IUPAC Name3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)CCc1cc(-c2cccc(F)c2)n(-c2ccc(OC)cc2)n1)c1ccccc1
InChIInChI=1S/C28H28FN3O2/c1-3-26(20-8-5-4-6-9-20)30-28(33)17-12-23-19-27(21-10-7-11-22(29)18-21)32(31-23)24-13-15-25(34-2)16-14-24/h4-11,13-16,18-19,26H,3,12,17H2,1-2H3,(H,30,33)
InChIKeyLTPPTHRKNFMVGI-UHFFFAOYSA-N
XLogP5.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.55
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylpropyl)propanamide?
The IUPAC name of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylpropyl)propanamide (CID 54767742) is 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylpropyl)propanamide.
What is the SMILES notation for 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylpropyl)propanamide?
The canonical SMILES for 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylpropyl)propanamide is CCC(NC(=O)CCc1cc(-c2cccc(F)c2)n(-c2ccc(OC)cc2)n1)c1ccccc1.
What is the InChIKey of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylpropyl)propanamide?
The InChIKey is LTPPTHRKNFMVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O2/c1-3-26(20-8-5-4-6-9-20)30-28(33)17-12-23-19-27(21-10-7-11-22(29)18-21)32(31-23)24-13-15-25(34-2)16-14-24/h4-11,13-16,18-19,26H,3,12,17H2,1-2H3,(H,30,33).
What are the key properties of 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylpropyl)propanamide?
3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylpropyl)propanamide has a molecular weight of 457.55 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-(1-phenylpropyl)propanamide is sourced from PubChem (CID 54767742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).