3-[3-(3,4-dimethoxyphenyl)-4-formyl-1H-pyrazol-1-yl]propanenitrile
Structure Info
- Chemspace ID
- CSSB00000686191 (In-Stock Building Blocks)
- CAS
- 956199-35-2
- MFCD
- MFCD06358006
- IUPAC Name
- 3-[3-(3,4-dimethoxyphenyl)-4-formyl-1H-pyrazol-1-yl]propanenitrile
- Mol formula
- C15H15N3O3
- Mol weight
- 285 Da
- Catalog Number(s)
- AG019JTP, BBLS00000686191, BD00985851, CS-0230445, CSC000686191, EN300-10396, HY-W169285, LN04648843, PB56424798, ST019LAH, TX019KZD, Y3565898, Z56347330, bbls00000686191
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.6
- Heavy atoms count
- 21
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.266
- Polar surface area (Å)
- 77
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 0
![Chemical structure of 3-[3-(3,4-dimethoxyphenyl)-4-formyl-1H-pyrazol-1-yl]propanenitrile (C15H15N3O3) - CSSB00000686191](/st/structure/200/b5c8b47484a849b4310c4f2146f88eff/COC1%253DCC%253DC%2528C%253DC1OC%2529C1%253DNN%2528CCC%2523N%2529C%253DC1C%253DO.png "C15H15N3O3")
- Zoom the structure
- CSSB00000686191
Items Overall 8 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 76.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 113.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 162.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 310.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 414.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 810.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 1,199.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 1,778.00 |
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Substructure Analogs
![Chemical structure of 3-{3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-formyl-1H-pyrazol-1-yl}propanenitrile - CSSB00000686410](/st/structure/200/b55cc2375d1590844208e6a83fa102fa/COC1%253DCC%2528%253DCC%253DC1OC%2528F%2529F%2529C1%253DNN%2528CCC%2523N%2529C%253DC1C%253DO.png)
Similarity Analogs
![Chemical structure of 3-(3,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carbaldehyde - CSSB00020594705](/st/structure/200/4fd792a2b3bb604034be21880f5e3353/COC1%253DCC%253DC%2528C%253DC1OC%2529C1%253DNN%2528CC2%253DCC%253DC%2528F%2529C%253DC2%2529C%253DC1C%253DO.png)
![Chemical structure of 3-[3-(2H-1,3-benzodioxol-5-yl)-4-formyl-1H-pyrazol-1-yl]propanenitrile - CSSB00000688067](/st/structure/200/3a99f68fbc87fd31ad640e1058bdee54/O%253DCC1%253DCN%2528CCC%2523N%2529N%253DC1C1%253DCC%253DC2OCOC2%253DC1.png)
![Chemical structure of 3-[4-formyl-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]propanenitrile - CSSB00000684365](/st/structure/200/09c7e3b84fc3308f00059d5645fc46d2/COC1%253DCC%253DC%2528C%253DC1%2529C1%253DNN%2528CCC%2523N%2529C%253DC1C%253DO.png)
![Chemical structure of 1-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde - CSSB00020594706](/st/structure/200/e76b238a347ed92b3ff8145bdd168a8e/COC1%253DCC%253DC%2528C%253DC1OC%2529C1%253DNN%2528CC2%253DCC%253DC%2528Cl%2529C%253DC2%2529C%253DC1C%253DO.png)
![Chemical structure of 2-cyano-3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoic acid - CSSB00000686220](/st/structure/200/32dfb8b17ce84da3ef2207fbf4c90b38/COC1%253DCC%253DC%2528C%253DC1OC%2529C1%253DNN%2528CCC%2523N%2529C%253DC1C%253DC%2528C%2523N%2529C%2528O%2529%253DO.png)
