Methyl 1-[(4-methoxyphenyl)methyl]-4-nitro-1H-pyrazole-3-carboxylate
Structure Info
- Chemspace ID
- CSSB00104219877 (In-Stock Building Blocks)
- CAS
- 896467-74-6
- MFCD
- MFCD23704385
- IUPAC Name
- methyl 1-[(4-methoxyphenyl)methyl]-4-nitro-1H-pyrazole-3-carboxylate
- Mol formula
- C13H13N3O5
- Mol weight
- 291 Da
- Catalog Number(s)
- 68R0650, ArZ-UP497638, BB4LS-68R0650, BBLS00104219877, CSC104219877, CSCR00077571692, D971969, LN05337637, PV-001916753294, PV-002151538895, TX01DQWK, Z4615250941, ZXC213271, bbls00104219877
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.1
- Heavy atoms count
- 21
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.23
- Polar surface area (Å)
- 96
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 0
![Chemical structure of Methyl 1-[(4-methoxyphenyl)methyl]-4-nitro-1H-pyrazole-3-carboxylate (C13H13N3O5) - CSSB00104219877](/st/structure/200/6b0bb1e698306b56a861a472447158b8/COC%2528%253DO%2529C1%253DNN%2528CC2%253DCC%253DC%2528OC%2529C%253DC2%2529C%253DC1%255BN%252B%255D%2528%255BO-%255D%2529%253DO.png "C13H13N3O5")
- Zoom the structure
- CSSB00104219877
Items Overall 11 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| J&W PharmLab, LLC. | 3 days | United States To: | 96 | 50 mg | 437.80 | |
| J&W PharmLab, LLC. | 3 days | United States To: | 96 | 100 mg | 547.80 | |
| J&W PharmLab, LLC. | 3 days | United States To: | 96 | 250 mg | 877.80 | |
| J&W PharmLab, LLC. | 3 days | United States To: | 96 | 500 mg | 1,097.80 | |
| J&W PharmLab, LLC. | 3 days | United States To: | 96 | 1 g | 1,427.80 | |
| J&W PharmLab, LLC. | 3 days | United States To: | 96 | 5 g | 5,497.80 | |
Description: 1-(4-Methoxy-benzyl)-4-nitro-1H-pyrazole-3-carboxylic acid methyl ester; CAS: 896467-74-6 | ||||||
| BB4LS US | 5 days | United States To: | 96 | 50 umol | 318.62 | |
| BB4LS US | 5 days | United States To: | 96 | 100 umol | 324.52 | |
| BB4LS US | 5 days | United States To: | 96 | 200 umol | 441.30 | |
| BB4LS US | 5 days | United States To: | 96 | 300 umol | 449.18 | |
| BB4LS US | 5 days | United States To: | 96 | 500 umol | 571.90 | |
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Substructure Analogs
![Chemical structure of ethyl 1-[(4-methoxyphenyl)methyl]-4-nitro-1H-pyrazole-3-carboxylate - CSSB01607898321](/st/structure/200/af4c4d92cfcd4863412f837f8aaba409/CCOC%2528%253DO%2529C1%253DNN%2528CC2%253DCC%253DC%2528OC%2529C%253DC2%2529C%253DC1%255BN%252B%255D%2528%255BO-%255D%2529%253DO.png)
Similarity Analogs
![Chemical structure of 1-[(4-methoxyphenyl)methyl]-4-nitro-1H-pyrazole-3-carboxylic acid - CSSB00035770728](/st/structure/200/cbf8643e04da3389b49e8f3839e5730e/COC1%253DCC%253DC%2528CN2C%253DC%2528C%2528%253DN2%2529C%2528O%2529%253DO%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%253DC1.png)
![Chemical structure of 1-[(4-methoxyphenyl)methyl]-4-nitro-1H-pyrazole-3-carboxamide - CSSB02125606750](/st/structure/200/1cdebeca3ba118f64a06b1b63296a707/COC1%253DCC%253DC%2528CN2C%253DC%2528C%2528%253DN2%2529C%2528N%2529%253DO%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%253DC1.png)
![Chemical structure of methyl 4-amino-1-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxylate - CSSB00029641664](/st/structure/200/e85ece3b1141f236069db294ed86b1a5/COC%2528%253DO%2529C1%253DNN%2528CC2%253DCC%253DC%2528OC%2529C%253DC2%2529C%253DC1N.png)
![Chemical structure of 4-bromo-1-[(4-methoxyphenyl)methyl]-3-nitro-1H-pyrazole - CSSB00003148400](/st/structure/200/82307afd8040466f6f55181f0c1df2f7/COC1%253DCC%253DC%2528CN2C%253DC%2528Br%2529C%2528%253DN2%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%253DC1.png)
![Chemical structure of methyl 4-iodo-1-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxylate - CSSB00016987552](/st/structure/200/68da587ca16f8cda010b9ce7a03323a5/COC%2528%253DO%2529C1%253DNN%2528CC2%253DCC%253DC%2528OC%2529C%253DC2%2529C%253DC1I.png)
![Chemical structure of methyl 4-[(3,4-dinitro-1H-pyrazol-1-yl)methyl]benzoate - CSSB00015197754](/st/structure/200/1f1918c757ac30313c82235fa5d75d50/COC%2528%253DO%2529C1%253DCC%253DC%2528CN2C%253DC%2528C%2528%253DN2%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%253DC1.png)
