| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 10 | Yes |
Popular Name: 1,5-dimethyl-1H-pyrazole-3-carboxylic acid 1,5-dimethyl-1H-pyrazole-3-carbo…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5744-59-2 , [5744-59-2]
"1,5-Dimethyl-1H-pyrazole-3-carboxylic acid, 97%"
"1,5-Dimethyl-1H-pyrazole-3-carboxylic acid, 99%"
1,5-Dimethyl-1H-pyrazole-3-carboxylic acid 95+%
1,5-Dimethyl-1H-pyrazole-3-carboxylic acid, 98%
1,5-Dimethyl-1H-Pyrazole-3-CarboxylicAcid
| 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) | 0.42 | 2.42 | -58.9 | 0 | 4 | -1 | 58 | 139.134 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 167 - 171 | Enamine Building Blocks |
| MP | 168 - 170 | Enamine Building Blocks |
| MP | 168...170 | Enamine Building Blocks |
| Melting_Point | 170-174? | Alfa-Aesar |
| MP | 170-176° | Oakwood Chemical |
| MP | 174 - 176 | Enamine Building Blocks |
| Mp [°C] | 175 - 178 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0628042A1; EP0874809A1; US3956323; US3957758; US5430031; US6020368; USRE29003 | IBM Patent Data |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin 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.