About 1-[4-(2-methyl-3-phenylcyclopropyl)phenyl]pyrazole
1-[4-(2-methyl-3-phenylcyclopropyl)phenyl]pyrazole (PubChem CID 123238761) has the molecular formula C19H18N2
and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[4-(2-methyl-3-phenylcyclopropyl)phenyl]pyrazole.
Molecular Properties
| Compound Name | 1-[4-(2-methyl-3-phenylcyclopropyl)phenyl]pyrazole |
| PubChem CID | 123238761 |
| Molecular Formula | C19H18N2 |
| Molecular Weight | 274.37 g/mol |
| Exact Mass | 274.15 |
| IUPAC Name | 1-[4-(2-methyl-3-phenylcyclopropyl)phenyl]pyrazole |
| SMILES | CC1C(c2ccccc2)C1c1ccc(-n2cccn2)cc1 |
| InChI | InChI=1S/C19H18N2/c1-14-18(15-6-3-2-4-7-15)19(14)16-8-10-17(11-9-16)21-13-5-12-20-21/h2-14,18-19H,1H3 |
| InChIKey | QFQPOAKSPAMHTP-UHFFFAOYSA-N |
| XLogP | 4.39 |
| TPSA | 17.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 274.37 |
| LogP ≤ 5 | 4.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1-[4-(2-methyl-3-phenylcyclopropyl)phenyl]pyrazole?
The IUPAC name of 1-[4-(2-methyl-3-phenylcyclopropyl)phenyl]pyrazole (CID 123238761) is 1-[4-(2-methyl-3-phenylcyclopropyl)phenyl]pyrazole.
What is the SMILES notation for 1-[4-(2-methyl-3-phenylcyclopropyl)phenyl]pyrazole?
The canonical SMILES for 1-[4-(2-methyl-3-phenylcyclopropyl)phenyl]pyrazole is CC1C(c2ccccc2)C1c1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-[4-(2-methyl-3-phenylcyclopropyl)phenyl]pyrazole?
The InChIKey is QFQPOAKSPAMHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-14-18(15-6-3-2-4-7-15)19(14)16-8-10-17(11-9-16)21-13-5-12-20-21/h2-14,18-19H,1H3.
What are the key properties of 1-[4-(2-methyl-3-phenylcyclopropyl)phenyl]pyrazole?
1-[4-(2-methyl-3-phenylcyclopropyl)phenyl]pyrazole has a molecular weight of 274.37 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-3-phenylcyclopropyl)phenyl]pyrazole is sourced from PubChem (CID 123238761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).