Cas no 108161-13-3 (1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile)
1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile is a heterocyclic organic compound featuring a pyrazole core substituted with three methyl groups and a cyano functional group. This structure imparts versatility in synthetic applications, particularly as a building block in pharmaceuticals, agrochemicals, and coordination chemistry. The electron-withdrawing nitrile group enhances reactivity, facilitating further functionalization, while the methyl substituents contribute to steric and electronic modulation. Its stability under standard conditions and compatibility with various reaction conditions make it a valuable intermediate for constructing complex molecular frameworks. The compound is typically characterized by high purity and consistent performance in synthetic workflows.
108161-13-3 structure
Product Name:1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile
CAS No:108161-13-3
MF:C7H9N3
MW:135.166460752487
MDL:MFCD00173421
CID:127833
PubChem ID:1473366
Update Time:2025-10-18
1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile
- 1,3,5-Trimethyl-1H-Pyrazole-4-Carbonitrile(Saltdata: Free)
- 1H-Pyrazole-4-carbonitrile,1,3,5-trimethyl-
- 1H-PYRAZOLE-4-CARBONITRILE,1,3,5-TRIMETHYL-(9CI)
- 1,3,5-trimethylpyrazole-4-carbonitrile
- 1H-Pyrazole-4-carbonitrile, 1,3,5-trimethyl-
- E84532
- CS-0450725
- 10F-017
- AKOS005167409
- trimethyl-1H-pyrazole-4-carbonitrile
- MFCD00173421
- EN300-230903
- 108161-13-3
- 1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL CYANIDE
- LLHFZIYFAUWQTM-UHFFFAOYSA-N
- SCHEMBL4354498
- 1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile, AldrichCPR
- DTXSID50363031
- AMY33006
- DB-267970
- BBL040849
- STK351136
- TRIMETHYLPYRAZOLE-4-CARBONITRILE
-
- MDL： MFCD00173421
- Inchi： 1S/C7H9N3/c1-5-7(4-8)6(2)10(3)9-5/h1-3H3
- InChI Key： LLHFZIYFAUWQTM-UHFFFAOYSA-N
- SMILES： N1(C)C(C)=C(C#N)C(C)=N1
Computed Properties
- Exact Mass: 135.07977
- Monoisotopic Mass: 135.08
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 169
- 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
- Molecular Weight: 135.17
- XLogP3: 0.8
- Topological Polar Surface Area: 41.6?2
Experimental Properties
- Density: 1.07
- Boiling Point: 251.2°C at 760 mmHg
- Flash Point: 105.7°C
- Refractive Index: 1.556
- PSA: 41.61
- LogP: 0.90858
1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM275496-5g |
1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile |
108161-13-3 | 95% | 5g |
$453 | 2021-08-18 | |
| Chemenu | CM275496-10g |
1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile |
108161-13-3 | 95% | 10g |
$762 | 2021-08-18 | |
| TRC | B535310-50mg |
1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile |
108161-13-3 | 50mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B535310-100mg |
1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile |
108161-13-3 | 100mg |
$ 65.00 | 2022-06-07 | ||
| TRC | B535310-500mg |
1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile |
108161-13-3 | 500mg |
$ 135.00 | 2022-06-07 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | SA01880-1g |
1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile |
108161-13-3 | - | 1g |
￥2788.0 | 2024-07-19 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | CBR01379-1G |
1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile |
108161-13-3 | Aldrich | 1G |
1804.05 | 2021-05-17 | |
| Apollo Scientific | OR111031-1g |
1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile |
108161-13-3 | 1g |
￡125.00 | 2023-09-02 | ||
| Apollo Scientific | OR111031-5g |
1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile |
108161-13-3 | 5g |
￡413.00 | 2023-09-02 | ||
| abcr | AB267351-1 g |
1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile |
108161-13-3 | 1 g |
€137.20 | 2023-07-20 |
1,3,5-Trimethyl-1H-pyrazole-4-carbonitrile Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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