| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2008 | 8 | Yes |
Popular Name: 5-Amino-1H-pyrazole-4-carbonitrile 5-Amino-1H-pyrazole-4-carbonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1204396-41-7 , 16617-06-2 , 16617-46-2 , [1204396-41-7] , [16617-46-2]
"3-Amino-4-cyanopyrazole, 98%"
1H-Pyrazole-4-carbonitrile, 3-amino- (9CI)
1H-pyrazole-4-carbonitrile, 5-amino-
1H-PYRAZOLE-4-CARBONITRILE,3-AMINO-
3-amino-1h-pyrazole-4-carbonitrile
3-Amino-1H-pyrazole-4-carbonitrile, 98%
3-Amino-4-pyrazolecarbonitrile
3-Amino-4-pyrazolecarbonitrile, 98%
| 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) | -0.39 | 0.3 | -8.82 | 3 | 4 | 0 | 78 | 108.104 | 0 | ↓ |
| Ref Reference (pH 7) | -0.39 | 0.31 | -7.61 | 3 | 4 | 0 | 78 | 108.104 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 166 - 168 | Enamine Building Blocks |
| MP | 166...168 | Enamine Building Blocks |
| MP | 169-171° | Oakwood Chemical |
| MP | 172 - 174 | Enamine Building Blocks |
| Mp [°C] | 172 - 176 | Acros Organics |
| Melting_Point | 173-176? | Alfa-Aesar |
| Melting_Point | 173-176° | Alfa-Aesar |
| MP | 175 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray.; 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 |
| PUBCHEM_PATENT_ID | WO1995021613A1 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.