2-Pyrazoline, 1-isopropyl-3,4-dimethyl-
PubChem CID: 580360
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| Compound Synonyms | 2-Pyrazoline, 1-isopropyl-3,4-dimethyl-, 1-Isopropyl-3,4-dimethyl-2-pyrazoline, 17911-98-7, 4,5-dimethyl-2-propan-2-yl-3,4-dihydropyrazole, DTXSID60342271, FLFFDGXRTTZWSA-UHFFFAOYSA-N, 3,4-Dimethyl-1-isopropyl-.DELTA.[2]-pyrazoline, 1-Isopropyl-3,4-dimethyl-4,5-dihydro-1H-pyrazole # |
|---|---|
| Topological Polar Surface Area | 15.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5-dimethyl-2-propan-2-yl-3,4-dihydropyrazole |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C8H16N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FLFFDGXRTTZWSA-UHFFFAOYSA-N |
| Fcsp3 | 0.875 |
| Logs | -4.275 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.567 |
| Compound Name | 2-Pyrazoline, 1-isopropyl-3,4-dimethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 140.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 140.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6829259999999997 |
| Inchi | InChI=1S/C8H16N2/c1-6(2)10-5-7(3)8(4)9-10/h6-7H,5H2,1-4H3 |
| Smiles | CC1CN(N=C1C)C(C)C |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients