Cas no 40711-94-2 (Methanone,(4-methylphenyl)-1H-pyrazol-3-yl-)
40711-94-2 structure
Product Name:Methanone,(4-methylphenyl)-1H-pyrazol-3-yl-
CAS No:40711-94-2
MF:C11H10N2O
MW:186.20990228653
CID:334433
PubChem ID:296611
Update Time:2025-04-19
Methanone,(4-methylphenyl)-1H-pyrazol-3-yl- Chemical and Physical Properties
Names and Identifiers
-
- (4-methylphenyl)-(1H-pyrazol-5-yl)methanone
- Methanone,(4-methylphenyl)-1H-pyrazol-3-yl-
- (1(2)H-pyrazol-3-yl)-p-tolyl ketone
- (1(2)H-Pyrazol-3-yl)-p-tolyl-keton
- (1(2)H-pyrazol-3-yl)-p-tolyl-methanone
- 3-p-Toluoylpyrazol
- AC1L6QD6
- NSC166871
- NSC-166871
- DTXSID70304704
- 40711-94-2
-
- Inchi： 1S/C11H10N2O/c1-8-2-4-9(5-3-8)11(14)10-6-7-12-13-10/h2-7H,1H3,(H,12,13)
- InChI Key： ZLKDALHIEFVHIK-UHFFFAOYSA-N
- SMILES： O=C(C1=CC=NN1)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 186.0794
- Monoisotopic Mass: 186.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 209
- 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: 2.3
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- Density: 1.198
- Boiling Point: 401°Cat760mmHg
- Flash Point: 198.7°C
- Refractive Index: 1.603
- PSA: 45.75
- LogP: 1.94910
Methanone,(4-methylphenyl)-1H-pyrazol-3-yl- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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