About N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide
N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide (PubChem CID 78913763) has the molecular formula C10H8N4O2
and a molecular weight of 216.20 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide.
Molecular Properties
| Compound Name | N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide |
| PubChem CID | 78913763 |
| Molecular Formula | C10H8N4O2 |
| Molecular Weight | 216.20 g/mol |
| Exact Mass | 216.06 |
| IUPAC Name | N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide |
| SMILES | Cc1ccc(C(=O)Nc2[nH]ncc2C#N)o1 |
| InChI | InChI=1S/C10H8N4O2/c1-6-2-3-8(16-6)10(15)13-9-7(4-11)5-12-14-9/h2-3,5H,1H3,(H2,12,13,14,15) |
| InChIKey | KXEVDWJLKTVRDL-UHFFFAOYSA-N |
| XLogP | 1.44 |
| TPSA | 94.71 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 216.20 |
| LogP ≤ 5 | 1.44 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide (CID 78913763) is N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2[nH]ncc2C#N)o1.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide?
The InChIKey is KXEVDWJLKTVRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c1-6-2-3-8(16-6)10(15)13-9-7(4-11)5-12-14-9/h2-3,5H,1H3,(H2,12,13,14,15).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide?
N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide has a molecular weight of 216.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 78913763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).