Cas no 89444-90-6 (1H-Pyrazole, 1-(2,2-dimethyl-1-oxopropyl)-3-methyl-)
89444-90-6 structure
Product Name:1H-Pyrazole, 1-(2,2-dimethyl-1-oxopropyl)-3-methyl-
CAS No:89444-90-6
MF:C9H14N2O
MW:166.220262050629
CID:600385
PubChem ID:71324300
Update Time:2025-04-19
1H-Pyrazole, 1-(2,2-dimethyl-1-oxopropyl)-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 1-(2,2-dimethyl-1-oxopropyl)-3-methyl-
- 2,2-dimethyl-1-(3-methylpyrazol-1-yl)propan-1-one
- DTXSID80753789
- 2,2-Dimethyl-1-(3-methyl-1H-pyrazol-1-yl)propan-1-one
- 89444-90-6
-
- Inchi： 1S/C9H14N2O/c1-7-5-6-11(10-7)8(12)9(2,3)4/h5-6H,1-4H3
- InChI Key： RBSFZHAKSJATCK-UHFFFAOYSA-N
- SMILES： O=C(C(C)(C)C)N1C=CC(C)=N1
Computed Properties
- Exact Mass: 166.110613074g/mol
- Monoisotopic Mass: 166.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 184
- 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: 1.9
- Topological Polar Surface Area: 34.9?2
1H-Pyrazole, 1-(2,2-dimethyl-1-oxopropyl)-3-methyl- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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4. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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