2-[3-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol

C27H27ClN2O2 — CID 59632276

About 2-[3-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol

2-[3-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol (PubChem CID 59632276) has the molecular formula C27H27ClN2O2 and a molecular weight of 446.98 g/mol. Its IUPAC name is 2-[3-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[3-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol
• PubChem CID: 59632276
• Molecular Formula: C27H27ClN2O2
• Molecular Weight: 446.98 g/mol
• Exact Mass: 446.18
• IUPAC Name: 2-[3-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol
• SMILES: CC(C)(O)c1cccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)cc2)c1
• InChI: InChI=1S/C27H27ClN2O2/c1-26(2,31)21-9-7-8-20(16-21)18-12-14-19(15-13-18)24-17-25(27(3,4)32)29-30(24)23-11-6-5-10-22(23)28/h5-17,31-32H,1-4H3
• InChIKey: WXHSJJSQNIPWJH-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 58.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.98
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol?

The IUPAC name of 2-[3-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol (CID 59632276) is 2-[3-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol.

What is the SMILES notation for 2-[3-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol?

The canonical SMILES for 2-[3-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol is CC(C)(O)c1cccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)cc2)c1.

What is the InChIKey of 2-[3-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol?

The InChIKey is WXHSJJSQNIPWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O2/c1-26(2,31)21-9-7-8-20(16-21)18-12-14-19(15-13-18)24-17-25(27(3,4)32)29-30(24)23-11-6-5-10-22(23)28/h5-17,31-32H,1-4H3.

What are the key properties of 2-[3-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol?

2-[3-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol has a molecular weight of 446.98 g/mol, XLogP of 6.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol is sourced from PubChem (CID 59632276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).