Cas no 63779-49-7 (3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-propyl-)
63779-49-7 structure
Product Name:3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-propyl-
CAS No:63779-49-7
MF:C7H12N2O
MW:140.182981491089
CID:1658313
PubChem ID:12385116
Update Time:2025-04-21
3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-propyl-
- 5-methyl-2-propyl-1H-pyrazol-3-one
- AKOS015365021
- 63779-49-7
- AT26237
- 5-Methyl-2-propyl-1,2-dihydro-3H-pyrazol-3-one
- SCHEMBL23398627
- 5-Methyl-2-propyl-1H-pyrazol-3(2H)-one
- SCHEMBL11751479
- 3-Methyl-1-propyl-1H-pyrazol-5-ol
- 29939-26-2
- DTXSID50495700
- 5-METHYL-2-PROPYL-PYRAZOL-3-OL
-
- Inchi： 1S/C7H12N2O/c1-3-4-9-7(10)5-6(2)8-9/h5,8H,3-4H2,1-2H3
- InChI Key： UEPMZLJERNRZTI-UHFFFAOYSA-N
- SMILES： O=C1C=C(C)NN1CCC
Computed Properties
- Exact Mass: 140.09506
- Monoisotopic Mass: 140.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 174
- 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: 1.2
- Topological Polar Surface Area: 32.3?2
Experimental Properties
- PSA: 32.34
3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-propyl- Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
63779-49-7 (3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-propyl-) Related Products
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