About 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol
1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol (PubChem CID 115111918) has the molecular formula C13H15N3O
and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol.
Molecular Properties
| Compound Name | 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol |
| PubChem CID | 115111918 |
| Molecular Formula | C13H15N3O |
| Molecular Weight | 229.28 g/mol |
| Exact Mass | 229.12 |
| IUPAC Name | 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol |
| SMILES | Cn1nc(-c2ccccc2C2(O)CC2)cc1N |
| InChI | InChI=1S/C13H15N3O/c1-16-12(14)8-11(15-16)9-4-2-3-5-10(9)13(17)6-7-13/h2-5,8,17H,6-7,14H2,1H3 |
| InChIKey | GNCOIIFEHXEWHS-UHFFFAOYSA-N |
| XLogP | 1.65 |
| TPSA | 64.07 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 229.28 |
| LogP ≤ 5 | 1.65 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol (CID 115111918) is 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol is Cn1nc(-c2ccccc2C2(O)CC2)cc1N.
What is the InChIKey of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol?
The InChIKey is GNCOIIFEHXEWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-12(14)8-11(15-16)9-4-2-3-5-10(9)13(17)6-7-13/h2-5,8,17H,6-7,14H2,1H3.
What are the key properties of 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol?
1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol has a molecular weight of 229.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-amino-1-methylpyrazol-3-yl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 115111918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).