| Canonical Smiles | CC1=C(C=NN1C)C(C)O |
|---|---|
| IUPAC Name | 1-(1,5-dimethylpyrazol-4-yl)ethanol |
| InChIKey | XTDMIVDJHBYFPN-UHFFFAOYSA-N |
| INCHI | 1S/C7H12N2O/c1-5-7(6(2)10)4-8-9(5)3/h4,6,10H,1-3H3 |
| Molecular Weight | 140.180 |
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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 Secondary alcohols Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Pyrazole - Secondary alcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - 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 | 140.180 g/mol |
|---|---|
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 140.095 Da |
| Monoisotopic Mass | 140.095 Da |
| Topological Polar Surface Area | 38.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 118.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
