| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 11 | Yes |
Popular Name: ethyl 3-methyl-1H-pyrazole-5-carboxylate ethyl 3-methyl-1H-pyrazole-5-car…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 4027-57-0 , 886495-75-6 , [4027-57-0]
1H-pyrazole-3-carboxylic acid, 5-methyl-, ethyl ester
1H-pyrazole-5-carboxylic acid, 3-methyl-, ethyl ester
3-Methyl-1H-pyrazole-5-carboxylic acid ethyl ester
5-methyl-1H-pyrazole-3-carboxylic acid
5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
5-Methyl-2H-pyrazole-3-carboxylic acid ethyl ester
Ethyl 3-methyl-1H-pyrazole-5-carboxylate, 97%
ethyl 3-methylpyrazole-5-carboxylate
ethyl 5-methyl-1H-pyrazole-3-carboxylate
Ethyl 5-methyl-2H-pyrazole-3-carboxylate
Ethyl 5-methyl-4H-pyrazole-3-carboxylate
Ethyl3-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) | 0.99 | 3.13 | -8.28 | 1 | 4 | 0 | 55 | 154.169 | 3 | ↓ |
| Ref Reference (pH 7) | 0.99 | 3.13 | -5.36 | 1 | 4 | 0 | 55 | 154.169 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 76 - 78 | Enamine Building Blocks |
| MP | 76...78 | Enamine Building Blocks |
| Mp [°C] | 80 - 83 | Acros Organics |
| Melting_Point | 80-83? | Alfa-Aesar |
| Melting_Point | 80-83° | Alfa-Aesar |
| MP | 80-84° | Oakwood Chemical |
| mp | 81.5 - 82 | MolMall (formerly Molecular Diversity Preservation International) |
| mp | 86 - 88 | MolMall (formerly Molecular Diversity Preservation International) |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0041322A1; EP0516982A1; US4389406 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0095289A2; EP0361362A1; EP0757987A1; US4005100; US4469868; US5126362; US5817829; US5977378; US6020357; US6096898; WO1998028269A1; WO2000024739A1 | IBM Patent Data |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory 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 |
