About diphenyl(pyrazolidin-3-yl)methanol
diphenyl(pyrazolidin-3-yl)methanol (PubChem CID 78349826) has the molecular formula C16H18N2O
and a molecular weight of 254.33 g/mol. Its IUPAC name is diphenyl(pyrazolidin-3-yl)methanol.
Molecular Properties
| Compound Name | diphenyl(pyrazolidin-3-yl)methanol |
| PubChem CID | 78349826 |
| Molecular Formula | C16H18N2O |
| Molecular Weight | 254.33 g/mol |
| Exact Mass | 254.14 |
| IUPAC Name | diphenyl(pyrazolidin-3-yl)methanol |
| SMILES | OC(c1ccccc1)(c1ccccc1)C1CCNN1 |
| InChI | InChI=1S/C16H18N2O/c19-16(15-11-12-17-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17-19H,11-12H2 |
| InChIKey | YPQMDGSTQBTLSL-UHFFFAOYSA-N |
| XLogP | 1.79 |
| TPSA | 44.29 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 254.33 |
| LogP ≤ 5 | 1.79 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of diphenyl(pyrazolidin-3-yl)methanol?
The IUPAC name of diphenyl(pyrazolidin-3-yl)methanol (CID 78349826) is diphenyl(pyrazolidin-3-yl)methanol.
What is the SMILES notation for diphenyl(pyrazolidin-3-yl)methanol?
The canonical SMILES for diphenyl(pyrazolidin-3-yl)methanol is OC(c1ccccc1)(c1ccccc1)C1CCNN1.
What is the InChIKey of diphenyl(pyrazolidin-3-yl)methanol?
The InChIKey is YPQMDGSTQBTLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16(15-11-12-17-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17-19H,11-12H2.
What are the key properties of diphenyl(pyrazolidin-3-yl)methanol?
diphenyl(pyrazolidin-3-yl)methanol has a molecular weight of 254.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(pyrazolidin-3-yl)methanol is sourced from PubChem (CID 78349826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).