- Design, synthesis, DFT study and antifungal activity of the derivatives of pyrazolecarboxamide containing thiazole or oxazole ringYan, Zhongzhong; Liu, Aiping; Huang, Mingzhi; Liu, Minhua; Pei, Hui; et al, European Journal of Medicinal Chemistry, 2018, 149, 170-181
Cas no 957500-07-1 (3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid)
957500-07-1 structure
Product Name:3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid
CAS No:957500-07-1
MF:C8H10N2O2
MW:166.177201747894
MDL:MFCD07186420
CID:841078
PubChem ID:3159656
Update Time:2024-10-25
3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-Cyclopropyl-2-methyl-2H-pyrazole-3-carboxylic acid
- 3-cyclopropyl-1-methyl-1H-Pyrazole-5-carboxylic acid
- 3-Cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid (ACI)
- 5-Cyclopropyl-2-methylpyrazole-3-carboxylic acid
- ALBB-031407
- AKOS000505660
- DB-080344
- WAVQQDWWBUEGMB-UHFFFAOYSA-N
- XH0684
- CS-0144058
- 3-Cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid, AldrichCPR
- 957500-07-1
- 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid
- DTXSID20390218
- AS-36558
- HMS1697A08
- SCHEMBL2215374
- EN300-149183
- Z1198171737
- MFCD07186420
- SY101246
- STL301112
- 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylicacid
- 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid
-
- MDL： MFCD07186420
- Inchi： 1S/C8H10N2O2/c1-10-7(8(11)12)4-6(9-10)5-2-3-5/h4-5H,2-3H2,1H3,(H,11,12)
- InChI Key： WAVQQDWWBUEGMB-UHFFFAOYSA-N
- SMILES： O=C(C1N(C)N=C(C2CC2)C=1)O
Computed Properties
- Exact Mass: 166.074227566g/mol
- Monoisotopic Mass: 166.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 203
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- Density: 1.46±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: NA
- Solubility: Very slightly soluble (0.71 g/l) (25 o C),
3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Hazard Category Code： 25
- Safety Instruction： 45
-
Hazardous Material Identification：
- HazardClass：IRRITANT
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM128215-1g |
3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid |
957500-07-1 | 95% | 1g |
$353 | 2021-08-05 | |
| Chemenu | CM128215-5g |
3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid |
957500-07-1 | 95% | 5g |
$1029 | 2021-08-05 | |
| Chemenu | CM128215-10g |
3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid |
957500-07-1 | 95% | 10g |
$1496 | 2021-08-05 | |
| Chemenu | CM128215-25g |
3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid |
957500-07-1 | 95% | 25g |
$2786 | 2021-08-05 | |
| Chemenu | CM128215-1g |
3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid |
957500-07-1 | 95% | 1g |
$*** | 2023-03-29 | |
| abcr | AB461061-250 mg |
3-Cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid, 95%; . |
957500-07-1 | 95% | 250MG |
€231.60 | 2022-03-24 | |
| abcr | AB461061-1 g |
3-Cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid, 95%; . |
957500-07-1 | 95% | 1g |
€406.00 | 2023-04-22 | |
| abcr | AB461061-5 g |
3-Cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid, 95%; . |
957500-07-1 | 95% | 5g |
€1,074.00 | 2023-04-22 | |
| Alichem | A049003546-5g |
3-Cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid |
957500-07-1 | 95% | 5g |
$1606.66 | 2023-08-31 | |
| Alichem | A049003546-10g |
3-Cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid |
957500-07-1 | 95% | 10g |
$2165.44 | 2023-08-31 |
3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Tetrahydrofuran ; reflux
1.2 Reagents: Sodium hydroxide Solvents: Water ; 4 h, 80 °C; 80 °C → rt
1.3 Reagents: Hydrochloric acid Solvents: Water ; pH 1, rt
1.2 Reagents: Sodium hydroxide Solvents: Water ; 4 h, 80 °C; 80 °C → rt
1.3 Reagents: Hydrochloric acid Solvents: Water ; pH 1, rt
Reference
Production Method 2
Reaction Conditions
Reference
- Fused ring-substituted six-membered heterocyclic compound, and preparation method therefor and use thereof, World Intellectual Property Organization, , ,
3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid Raw materials
3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid Preparation Products
3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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