3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyrazin-2-ylpropan-2-yl]benzamide

C23H19F2N5O2 — CID 135132968

About 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyrazin-2-ylpropan-2-yl]benzamide

3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyrazin-2-ylpropan-2-yl]benzamide (PubChem CID 135132968) has the molecular formula C23H19F2N5O2 and a molecular weight of 435.43 g/mol. Its IUPAC name is 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyrazin-2-ylpropan-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyrazin-2-ylpropan-2-yl]benzamide
• PubChem CID: 135132968
• Molecular Formula: C23H19F2N5O2
• Molecular Weight: 435.43 g/mol
• Exact Mass: 435.15
• IUPAC Name: 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyrazin-2-ylpropan-2-yl]benzamide
• SMILES: O=C(N[C@@H](CO)Cc1cnccn1)c1cccc(F)c1-c1cc(-c2ccc(F)cc2)n[nH]1
• InChI: InChI=1S/C23H19F2N5O2/c24-15-6-4-14(5-7-15)20-11-21(30-29-20)22-18(2-1-3-19(22)25)23(32)28-17(13-31)10-16-12-26-8-9-27-16/h1-9,11-12,17,31H,10,13H2,(H,28,32)(H,29,30)/t17-/m1/s1
• InChIKey: ONMMSOLMUUZAEG-QGZVFWFLSA-N
• XLogP: 3.15
• TPSA: 103.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.43
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyrazin-2-ylpropan-2-yl]benzamide?

The IUPAC name of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyrazin-2-ylpropan-2-yl]benzamide (CID 135132968) is 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyrazin-2-ylpropan-2-yl]benzamide.

What is the SMILES notation for 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyrazin-2-ylpropan-2-yl]benzamide?

The canonical SMILES for 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyrazin-2-ylpropan-2-yl]benzamide is O=C(N[C@@H](CO)Cc1cnccn1)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-[(2R)-1-hydroxy-3-pyrazin-2-ylpropan-2-yl]benzamide?

The InChIKey is ONMMSOLMUUZAEG-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H19F2N5O2/c24-15-6-4-14(5-7-15)20-11-21(30-29-20)22-18(2-1-3-19(22)25)23(32)28-17(13-31)10-16-12-26-8-9-27-16/h1-9,11-12,17,31H,10,13H2,(H,28,32)(H,29,30)/t17-/m1/s1.

What are the key properties of 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyrazin-2-ylpropan-2-yl]benzamide?

3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyrazin-2-ylpropan-2-yl]benzamide has a molecular weight of 435.43 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2R)-1-hydroxy-3-pyrazin-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 135132968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).