| Canonical Smiles | CN1C=C(C(=N1)C(F)F)CO |
|---|---|
| IUPAC Name | [3-(difluoromethyl)-1-methylpyrazol-4-yl]methanol |
| InChIKey | TUZVVVXMMTUHBR-UHFFFAOYSA-N |
| INCHI | 1S/C6H8F2N2O/c1-10-2-4(3-11)5(9-10)6(7)8/h2,6,11H,3H2,1H3 |
| Molecular Weight | 162.140 |
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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 Primary alcohols Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - 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 | 162.140 g/mol |
|---|---|
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 162.06 Da |
| Monoisotopic Mass | 162.06 Da |
| Topological Polar Surface Area | 38.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 134.000 |
| 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 |
![[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanol - ≥97% , CAS No.1803608-27-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)