| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 27th, 2005 | 13 | Yes |
Popular Name: 3-(4-chlorophenyl)-1H-pyrazol-5-amine 3-(4-chlorophenyl)-1H-pyrazol-5-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 78583-81-0 , [78583-81-0]
3-Amino-5-(4-chlorophenyl)-1H-pyrazole
5-(4-Chlorophenyl)-1H-pyrazol-3-amine
5-(4-Chlorophenyl)-2H-pyrazol-3-amine
5-(4-Chlorophenyl)-2H-pyrazol-3-ylamine
5-Amino-3-(4-chlorophenyl)-1H-pyrazole
5-Amino-3-(4-chlorophenyl)-1H-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) | 2.28 | 3.88 | -6.33 | 3 | 3 | 0 | 55 | 193.637 | 1 | ↓ |
| Ref Reference (pH 7) | 1.96 | 4.42 | -37.04 | 3 | 3 | 1 | 52 | 194.645 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 3.86 | -5.95 | 3 | 3 | 0 | 55 | 193.637 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.28 | 4 | -31.29 | 4 | 3 | 1 | 56 | 194.645 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 143-145° | Oakwood Chemical |
| melting_point | 171 - 172 | KeyOrganics |
| MP | 171-172° | Matrix Scientific |
| Melting_Point | 172-174? | Alfa-Aesar |
| Melting_Point | 172-174° | Alfa-Aesar |
| Mp [°C] | 174 - 176 | Acros Organics |
| Purity | 97% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H335: May cause respiratory 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.