Structure Info
- Chemspace ID
- CSSS00000028331 (In-Stock Screening Compounds)
- CAS
- 128694-63-3
- MFCD
- MFCD02090853
- IUPAC Name
- 1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
- Mol formula
- C6H5F3N2O2
- Mol weight
- 194 Da
- Catalog Number(s)
- 128694-63-3, 55275, 145366, 4035600, 55275-0.1G, 8906925, A049000114, A100707, AA000Y91, AA44289, ABC02502030, AC019072, ACDS-048473, ACM128694633, AG-22664, AG000YBT, AI44289, ALBB-008645, AOS000YBT, AR000Z0T, ArZ-UP067294, B000173, B487523, BB006923, BB05-0041, BB4LS-EN300-83484, BB55-3854, BBV-38266542, BD77091, CB30199, CD11300174, CM176134, CS-W007107, CSC000028331, D540711, D547692, D915995, EN300-83484, F014557, F0918-5579, FM103188, FS-1389, GEO-04062, HTS039274, HY-W007107, IVK/9098846, JH625662, LAN-B19712, LN00126081, LQT-B19750, M15508, M19188, OSSL_028325, PBMR001339, PBXA1196, PC520519, R577729, RF04315, SAB-012665, SC-72688, STK315878, SY063338, UZI/9098846, X42180, Y0994139, Y1040856, Y1098032, Z2320, Z275169884, ZX-AE006995, ZX-CH068444, ZX-SK003332, habo100402
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.24
- Heavy atoms count
- 13
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 55
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00000028331
Items Overall 21 items from 4 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, € | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd | 5 days | Ukraine To: | 90 | 1 mg | 79 | |
| Enamine Ltd | 5 days | Ukraine To: | 90 | 2 mg | 81 | |
| Enamine Ltd | 5 days | Ukraine To: | 90 | 5 mg | 87 | |
| Enamine Ltd | 5 days | Ukraine To: | 90 | 10 mg | 97 | |
| Enamine Ltd | 5 days | Ukraine To: | 90 | 20 mg | 117 | |
| Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 90 | 1 mg | 48 | |
| Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 90 | 5 mg | 59 | |
| Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 90 | 10 mg | 81 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 1 mg | 88 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 2 mg | 94 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 5 mg | 99 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 10 mg | 116 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 15 mg | 132 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 20 mg | 143 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 50 mg | 231 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 100 mg | 297 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 3 umol | 94 | |
| Princeton Biomolecular Research | 10 days | United States To: | 90 | 5 umol | 99 | |
| ChemBridge Corp. | 14 days | United States To: | 90 | 1 mg | 68 | |
| ChemBridge Corp. | 14 days | United States To: | 90 | 3 mg | 99 | |
| ChemBridge Corp. | 14 days | United States To: | 90 | 5 mg | 99 | |
Description: Name: 1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid; Stereochemistry: achiral; Compound state: solid | ||||||
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