1-Pyrazoline
PubChem CID: 524190
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-Pyrazoline, 4,5-dihydro-3H-pyrazole, DNXIASIHZYFFRO-UHFFFAOYSA-N, Q7263415 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 24.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | CCN=NC5 |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Organonitrogen compounds |
| Scaffold Graph Node Level | C1CNNC1 |
| Classyfire Subclass | Azo compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 42.9 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5-dihydro-3H-pyrazole |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | 0.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C3H6N2 |
| Scaffold Graph Node Bond Level | C1CN=NC1 |
| Inchi Key | DNXIASIHZYFFRO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | pyrazoline |
| Esol Class | Very soluble |
| Functional Groups | CN=NC |
| Compound Name | 1-Pyrazoline |
| Exact Mass | 70.0531 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 70.0531 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 70.09 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C3H6N2/c1-2-4-5-3-1/h1-3H2 |
| Smiles | C1CN=NC1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Inula Racemosa (Plant) Rel Props:Reference:ISBN:9788171360536