3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]propanamide

C25H21F2N3O2 — CID 123302847

IUPAC3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
SMILESO=C(CCc1cc(-c2cccc(F)c2)n(-c2ccc(O)cc2)n1)NCc1ccccc1F
InChIInChI=1S/C25H21F2N3O2/c26-19-6-3-5-17(14-19)24-15-20(29-30(24)21-9-11-22(31)12-10-21)8-13-25(32)28-16-18-4-1-2-7-23(18)27/h1-7,9-12,14-15,31H,8,13,16H2,(H,28,32)
InChIKeyYZUHGGACBGCYBY-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.77
Rot. Bonds7

About 3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]propanamide

3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 123302847) has the molecular formula C25H21F2N3O2 and a molecular weight of 433.46 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID123302847
Molecular FormulaC25H21F2N3O2
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
SMILESO=C(CCc1cc(-c2cccc(F)c2)n(-c2ccc(O)cc2)n1)NCc1ccccc1F
InChIInChI=1S/C25H21F2N3O2/c26-19-6-3-5-17(14-19)24-15-20(29-30(24)21-9-11-22(31)12-10-21)8-13-25(32)28-16-18-4-1-2-7-23(18)27/h1-7,9-12,14-15,31H,8,13,16H2,(H,28,32)
InChIKeyYZUHGGACBGCYBY-UHFFFAOYSA-N
XLogP4.77
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]propanamide (CID 123302847) is 3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]propanamide is O=C(CCc1cc(-c2cccc(F)c2)n(-c2ccc(O)cc2)n1)NCc1ccccc1F.
What is the InChIKey of 3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is YZUHGGACBGCYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O2/c26-19-6-3-5-17(14-19)24-15-20(29-30(24)21-9-11-22(31)12-10-21)8-13-25(32)28-16-18-4-1-2-7-23(18)27/h1-7,9-12,14-15,31H,8,13,16H2,(H,28,32).
What are the key properties of 3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]propanamide?
3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 433.46 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenyl)-1-(4-hydroxyphenyl)pyrazol-3-yl]-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 123302847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).