UCSF

ZINC03886974

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 7 Yes

Popular Name: 3-Amino-5-methylpyrazole 3-Amino-5-methylpyrazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 113402-89-4 , 1240047-66-8 , 133284-56-7 , 31230-17- , 31230-17-8 , N/A , [31230-17-8]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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) 0.15 0.51 -26.65 4 3 1 56 98.129 0 ↓
Ref Reference (pH 7) 0.07 0.96 -31.39 3 3 1 52 98.129 0 ↓
Mid Mid (pH 6-8) 0.15 0.41 -6.1 3 3 0 55 97.121 0 ↓
Mid Mid (pH 6-8) 0.15 0.39 -5.84 3 3 0 55 97.121 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 17 - 19 Enamine Building Blocks
MP 17...19 Enamine Building Blocks
Boiling_Point 212-213?/14mm Alfa-Aesar
Boiling_Point 212-213°/14mm Alfa-Aesar
Mp [°C] 41 - 43 Acros Organics
Melting_Point 42-47? Alfa-Aesar
Melting_Point 42-47° Alfa-Aesar
MP 45 - 47 Enamine Building Blocks
MP 45-47° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin 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

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )