3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide

C25H21F2N3O — CID 135138513

IUPAC3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1cccc(F)c1-c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C25H21F2N3O/c26-19-13-11-18(12-14-19)22-16-23(30-29-22)24-20(9-4-10-21(24)27)25(31)28-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-14,16H,5,8,15H2,(H,28,31)(H,29,30)
InChIKeyRAHVGGLGXNKOQN-UHFFFAOYSA-N
MW417.46 g/mol
LogP5.38
Rot. Bonds7

About 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide

3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide (PubChem CID 135138513) has the molecular formula C25H21F2N3O and a molecular weight of 417.46 g/mol. Its IUPAC name is 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
PubChem CID135138513
Molecular FormulaC25H21F2N3O
Molecular Weight417.46 g/mol
Exact Mass417.17
IUPAC Name3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1cccc(F)c1-c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C25H21F2N3O/c26-19-13-11-18(12-14-19)22-16-23(30-29-22)24-20(9-4-10-21(24)27)25(31)28-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-14,16H,5,8,15H2,(H,28,31)(H,29,30)
InChIKeyRAHVGGLGXNKOQN-UHFFFAOYSA-N
XLogP5.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 135138260
N-[(2R,3S)-3,4-dihydroxy-1-phenylbutan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138062
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
CID 46091667
3-methyl-2-(3-phenyl-1H-pyrazol-5-yl)benzamide;3-phenylpropan-1-amine
CID 145217688
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(4-hydroxy-1-pyridin-2-ylbutan-2-yl)benzamide
CID 135138691
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-4-hydroxy-1-pyridin-2-ylbutan-2-yl]benzamide
CID 135137981
2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
CID 2463726
N-[2-(3-aminophenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135138265
N-[(2S,3S)-3,4-dihydroxy-1-pyridin-2-ylbutan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138104
N-[(2S,4S)-4,5-dihydroxy-1-pyridin-2-ylpentan-2-yl]-3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide
CID 135138722
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide?
The IUPAC name of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide (CID 135138513) is 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide is O=C(NCCCc1ccccc1)c1cccc(F)c1-c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide?
The InChIKey is RAHVGGLGXNKOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O/c26-19-13-11-18(12-14-19)22-16-23(30-29-22)24-20(9-4-10-21(24)27)25(31)28-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-14,16H,5,8,15H2,(H,28,31)(H,29,30).
What are the key properties of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide?
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide has a molecular weight of 417.46 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 135138513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).