| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2013 | 0 | Yes |
Popular Name: 5-Amino-3-(4-methylphenyl)pyrazole 5-Amino-3-(4-methylphenyl)pyrazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 151293-15-1 , 78597-54-3 , [151293-15-1] , [78597-54-3]
3-(4-methylphenyl)-1H-pyrazol-5-amine
5-Amino-3-(4-methylphenyl)pyrazole, 97%
| 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) | 2.05 | 4.04 | -7.29 | 3 | 3 | 0 | 55 | 173.219 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 4.02 | -6.17 | 3 | 3 | 0 | 55 | 173.219 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 152.3 - 153.3 | Acros Organics |
| Purity | 95% | Fluorochem |
| 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 |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; 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.