| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: ethyl 3,5-dimethyl-1h-pyrazole-4-carboxylate ethyl 3,5-dimethyl-1h-pyrazole-4…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 1305320-57-3 , 35691-93-1 , N/A , NULL , [35691-93-1]
1H-pyrazole-4-carboxylic acid, 3,5-dimethyl-, ethyl ester
3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
ethyl 3,5-dimethyl-1H-4-pyrazolecarboxylate
ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate hydrochloride
Ethyl 3,5-Dimethylpyrazole-4-carboxylate
Ethyl 3,5-Dimethylpyrazole-4-carboxylate Hydrochloride
ethyl-3,5-dimethyl-1h-4-pyrazolecarboxylate
Ethyl3,5-Dimethylpyrazole-4-carboxylate
| 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) | 0.90 | 3.74 | -8.4 | 1 | 4 | 0 | 55 | 168.196 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 118 - 119 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 200 - 202 | Enamine Building Blocks |
| MP | 200...202 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 3.76e+01 g/l | DrugBank-experimental |
| MP | 58 - 60 | Enamine Building Blocks |
| MP | 58...60 | Enamine Building Blocks |
| Mp [°C] | 66 - 69 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| melting_point | 92 - 94 | KeyOrganics |
| MP | 92-94° | Matrix Scientific |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H302: Harmful if swallowed; 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.