About 5-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide
5-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 118679627) has the molecular formula C7H5FN4O
and a molecular weight of 180.14 g/mol. Its IUPAC name is 5-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Molecular Properties
| Compound Name | 5-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| PubChem CID | 118679627 |
| Molecular Formula | C7H5FN4O |
| Molecular Weight | 180.14 g/mol |
| Exact Mass | 180.04 |
| IUPAC Name | 5-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| SMILES | NC(=O)c1cc2nc(F)ccn2n1 |
| InChI | InChI=1S/C7H5FN4O/c8-5-1-2-12-6(10-5)3-4(11-12)7(9)13/h1-3H,(H2,9,13) |
| InChIKey | YYDPUHYNRLRLGQ-UHFFFAOYSA-N |
| XLogP | -0.03 |
| TPSA | 73.28 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 180.14 |
| LogP ≤ 5 | -0.03 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 5-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 118679627) is 5-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide is NC(=O)c1cc2nc(F)ccn2n1.
What is the InChIKey of 5-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YYDPUHYNRLRLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4O/c8-5-1-2-12-6(10-5)3-4(11-12)7(9)13/h1-3H,(H2,9,13).
What are the key properties of 5-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 180.14 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 118679627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).