| Canonical Smiles | C1CC1C2=CC(=NN2)C(F)F |
|---|---|
| IUPAC Name | 5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole |
| InChIKey | QOGBWRRHJQSLCY-UHFFFAOYSA-N |
| INCHI | 1S/C7H8F2N2/c8-7(9)6-3-5(10-11-6)4-1-2-4/h3-4,7H,1-2H2,(H,10,11) |
| Isomeric SMILES | C1CC1C2=CC(=NN2)C(F)F |
| PubChem CID | 7147403 |
| Molecular Weight | 158.15 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazoles |
| Alternative Parents | Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 158.150 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 158.066 Da |
| Monoisotopic Mass | 158.066 Da |
| Topological Polar Surface Area | 28.700 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 147.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
