In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2005 | 8 | Yes |
Popular Name: 4-bromo-3-methyl-1H-pyrazol-5-amine hydrobromide 4-bromo-3-methyl-1H-pyrazol-5-am…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 167683-86-5 , 1780-72-9 , [167683-86-5] , [1780-72-9]
4-Bromo-3-methyl-1H-pyrazol-5-amine
4-Bromo-5-methyl-1 H -pyrazol-3-ylamine
4-bromo-5-methyl-1H-pyrazol-3-amine
4-Bromo-5-methyl-1H-pyrazol-3-ylamine
4-Bromo-5-methyl-2H-pyrazol-3-yl-amine
5-Amino-4-bromo-3-methyl-1H-pyrazole hydrobromide
5-Amino-4-bromo-3-methyl-1H-pyrazole hydrobromide, 98%
5-AMINO-4-BROMO-3-METHYLPYRAZOLE HYDROBROMIDE
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) | 0.88 | 1.01 | -5.02 | 3 | 3 | 0 | 55 | 176.017 | 0 | ↓ |
Hi High (pH 8-9.5) | 0.52 | 1.27 | -8.67 | 2 | 3 | 0 | 51 | 176.017 | 0 | ↓ |
Hi High (pH 8-9.5) | 0.52 | 1.29 | -8.75 | 2 | 3 | 0 | 51 | 176.017 | 0 | ↓ |
Mid Mid (pH 6-8) | 0.88 | 1.01 | -5.3 | 3 | 3 | 0 | 55 | 176.017 | 0 | ↓ |
Lo Low (pH 4.5-6) | 0.88 | 1.13 | -28.55 | 4 | 3 | 1 | 56 | 177.025 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Melting_Point | 178-181? | Alfa-Aesar |
Melting_Point | 178-181° | Alfa-Aesar |
Mp [°C] | 180 - 184 | Acros Organics |
Purity | 95% | Fluorochem |
Purity | 97% | APIChem |
PUBCHEM_PATENT_ID | EP0174272A1; EP0175641A1; US4639531; US4644069 | IBM Patent Data |
H phrase | H302: Harmful if swallowed | Acros Organics |
H phrase | H302: Harmful if swallowed; 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
R phrase | R22: Harmful if swallowed. | Acros Organics |
R phrase | R22: Harmful if swallowed.; 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 |
Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.