| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2009 | 9 | Yes |
Popular Name: methyl 1H-pyrazole-3-carboxylate methyl 1H-pyrazole-3-carboxylate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 15336-34-4 , 15366-34-4 , 1621-91-6 , [15366-34-4]
1H-Pyrazole-3-carboxyic acid methyl ester
1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
2 H -Pyrazole-3-carboxylic acid methyl ester
2H-Pyrazole-3-carboxylic acid methyl ester
Methyl 1H-pyrazole-3-carboxylate, 97%
Methyl 1H-pyrazole-5-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) | 0.39 | 1.64 | -9.44 | 1 | 4 | 0 | 55 | 126.115 | 2 | ↓ |
| Ref Reference (pH 7) | 0.39 | 1.63 | -5.69 | 1 | 4 | 0 | 55 | 126.115 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 140 - 142 | Enamine Building Blocks |
| Mp [°C] | 141 - 142.5 | Acros Organics |
| MP | 141 - 143 | Enamine Building Blocks |
| Melting_Point | 141-143? | Alfa-Aesar |
| Melting_Point | 141-143° | Alfa-Aesar |
| MP | 141...143 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0807112A1; US5502059; US5910504; US6124334; WO1990013603A1 | IBM Patent Data |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin 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 | 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 |
| Purity | Tech. | Matrix Scientific |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.