Cas no 856061-36-4 (4-Phenyl-1H-pyrazole-5-carboxylic acid)
856061-36-4 structure
Product Name:4-Phenyl-1H-pyrazole-5-carboxylic acid
CAS No:856061-36-4
MF:C10H8N2O2
MW:188.182722091675
CID:1091686
PubChem ID:347194
Update Time:2025-04-20
4-Phenyl-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Phenyl-1H-pyrazole-5-carboxylic acid
- DTXSID60324097
- NSC405733
- 7510-56-7
- 4-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
- 1H-Pyrazole-3-carboxylic acid, 4-phenyl-
- SCHEMBL948199
- 856061-36-4
- AKOS016001624
- AKOS022178666
- EN300-138195
- FT-0716587
- LVFUUWLMDUOBLC-UHFFFAOYSA-N
- NSC-405733
- phenylpyrazolecarboxylic acid
- MFCD00230883
- SY296666
- DB-074945
- 4-Phenylpyrazole-3-carboxylic Acid
-
- Inchi： 1S/C10H8N2O2/c13-10(14)9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
- InChI Key： LVFUUWLMDUOBLC-UHFFFAOYSA-N
- SMILES： OC(C1=C(C=NN1)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 188.058577502g/mol
- Monoisotopic Mass: 188.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 214
- 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: 1.7
- Topological Polar Surface Area: 66?2
4-Phenyl-1H-pyrazole-5-carboxylic acid Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
856061-36-4 (4-Phenyl-1H-pyrazole-5-carboxylic acid) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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