Basic information
- CAS
174139-65-2- Standard SMILES
CCOC(=O)c1cc(-c2ccccn2)n[nH]1- InChIKey
UDPAIBGYGUIPAP-UHFFFAOYSA-N- Molecular formula
- C11H11N3O2
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.08512659
Names & identifiers
- Preferred name
- Ethyl 3-(pyridin-2-yl)-1H-pyrazole-5-carboxylate
- IUPAC
- ethyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate
- English name
- Ethyl 3-(2-pyridinyl)-1H-pyrazole-5-carboxylate
- Molecular formula
- C11H11N3O2
- Molecular weight
- 217.22
Names & synonyms
174139-65-2ethyl 3-(pyridin-2-yl)-1H-pyrazole-5-carboxylateDTXSID70346467RefChem:343271DTXCID00297539Ethyl 3-(2-pyridinyl)-1H-pyrazole-5-carboxylateEthyl 5-(2-Pyridyl)pyrazole-3-carboxylateETHYL 5-(PYRIDIN-2-YL)-1H-PYRAZOLE-3-CARBOXYLATEethyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylateEthyl 3-(pyridin-2-yl)pyrazole-5-carboxylateEthyl 5-[2-pyridyl]pyrazole-3-carboxylateMFCD13190394
Show more names
5-(Ethoxycarbonyl)-3-(pyridin-2-yl)-1H-pyrazole, 2-[5-(Ethoxycarbonyl)-1H-pyrazol-3-yl]pyridine
1H-Pyrazole-3-carboxylic acid, 5-(2-pyridinyl)-, ethyl esterMFCD12827769SCHEMBL2333251SCHEMBL9127632SCHEMBL31039793SBB095405AKOS005070785AKOS015935188
Database identifiers
- CAS
174139-65-2- PubChem CID
- 612416
- DTXSID
DTXSID70346467- EC Number
- 112-648-2
- Nikkaji
- J2.708.838D、J3.486.718F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 96 · 96-98°
- Boiling point
- 445 · 445.0±35.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.09 · 10.09±0.19(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers21 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
上海弘敏医药科技有限公司13651987816 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
1 records
Compound notes
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