About 1-methyl-3-(methylamino)pyrazole-5-carboxamide
1-methyl-3-(methylamino)pyrazole-5-carboxamide (PubChem CID 58757118) has the molecular formula C6H10N4O
and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-methyl-3-(methylamino)pyrazole-5-carboxamide.
Molecular Properties
| Compound Name | 1-methyl-3-(methylamino)pyrazole-5-carboxamide |
| PubChem CID | 58757118 |
| Molecular Formula | C6H10N4O |
| Molecular Weight | 154.17 g/mol |
| Exact Mass | 154.09 |
| IUPAC Name | 1-methyl-3-(methylamino)pyrazole-5-carboxamide |
| SMILES | CNc1cc(C(N)=O)n(C)n1 |
| InChI | InChI=1S/C6H10N4O/c1-8-5-3-4(6(7)11)10(2)9-5/h3H,1-2H3,(H2,7,11)(H,8,9) |
| InChIKey | OSZPIEYXLOIXRD-UHFFFAOYSA-N |
| XLogP | -0.44 |
| TPSA | 72.94 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 154.17 |
| LogP ≤ 5 | -0.44 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 1-methyl-3-(methylamino)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-(methylamino)pyrazole-5-carboxamide (CID 58757118) is 1-methyl-3-(methylamino)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-(methylamino)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-(methylamino)pyrazole-5-carboxamide is CNc1cc(C(N)=O)n(C)n1.
What is the InChIKey of 1-methyl-3-(methylamino)pyrazole-5-carboxamide?
The InChIKey is OSZPIEYXLOIXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-8-5-3-4(6(7)11)10(2)9-5/h3H,1-2H3,(H2,7,11)(H,8,9).
What are the key properties of 1-methyl-3-(methylamino)pyrazole-5-carboxamide?
1-methyl-3-(methylamino)pyrazole-5-carboxamide has a molecular weight of 154.17 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylamino)pyrazole-5-carboxamide is sourced from PubChem (CID 58757118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).