| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2006 | 8 | Yes |
Popular Name: 1-(1H-Pyrazol-3-yl)ethanone 1-(1H-Pyrazol-3-yl)ethanone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 175277-40-4 , 20583-33-9 , [175277-40-4] , [20583-33-9]
1-(1H-Pyrazol-3-yl)ethanone hydrochloride
1-(1H-pyrazol-5-yl)ethan-1-one hydrochloride
1-(1H-Pyrazol-5-yl)ethan-1-one, HCl
1-(1H-pyrazol-5-yl)ethan-1-onehydrochloride
1-(1H-Pyrazol-5-yl)ethanone hydrochloride
1-(2H-Pyrazol-3-yl)ethanone hydrochloride
5-Acetyl-1H-pyrazole hydrochloride
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.46 | 1.52 | -7.23 | 1 | 3 | 0 | 46 | 110.116 | 1 | ↓ |
| Ref Reference (pH 7) | 0.46 | 1.54 | -8.03 | 1 | 3 | 0 | 46 | 110.116 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 144 - 146 | Enamine Building Blocks |
| MP | 144...146 | Enamine Building Blocks |
| Mp [°C] | 154 - 155 | Acros Organics |
| MP | 154 - 156 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 94 - 96 | Enamine Building Blocks |
| MP | 94...96 | Enamine Building Blocks |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0300324A1; EP0300324B1; EP0368343A2; EP0368343B1; WO1999062513A1 | IBM Patent Data |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.