| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2006 | 8 | Yes |
Popular Name: 1h-pyrazole-3-carboxylic acid 1h-pyrazole-3-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1621-91-6 , 797027-83-9 , 855643-75-3 , [1621-91-6]
"1H-Pyrazole-3-carboxylic acid, 98%"
1H-Pyrazole-3-carboxylic acid, 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) | 0.13 | 0.58 | -42.53 | 1 | 4 | -1 | 69 | 111.08 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 177 - 179 | Acros Organics |
| Melting_Point | 211? dec. | Alfa-Aesar |
| Melting_Point | 211° dec. | Alfa-Aesar |
| MP | 212 - 216 | Enamine Building Blocks |
| MP | 213 - 215 | Enamine Building Blocks |
| MP | 213...215 | Enamine Building Blocks |
| MP | 214-216° | Oakwood Chemical |
| MP | 215° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0719258A1; US5786367; WO1996002508A1 | IBM Patent Data |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory 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 wate | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HCAR2-2-E | HM74 Nicotinic Acid GPCR (cluster #2 Of 4), Eukaryotic | Eukaryotes | 594 | 1.09 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HCAR2_RAT | Q80Z39 | HM74 Nicotinic Acid GPCR, Rat | 594 | 1.09 | Binding ≤ 1μM |
| HCAR2_RAT | Q80Z39 | HM74 Nicotinic Acid GPCR, Rat | 594 | 1.09 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events | |
| Hydroxycarboxylic acid-binding receptors |
