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3-methyl-1H-pyrazol-5-ol - 97%, high purity , CAS No.132712-71-1
Discover 3-methyl-1H-pyrazol-5-ol by Aladdin Scientific in 97% for only $94.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3-methyl-1H-pyrazol-5-ol | 3-Methyl-3-pyrazolin-5-one | 4344-87-0 | 5-Methyl-1H-pyrazol-3-ol | 132712-71-1 | 3-Methyl-5-hydroxypyrazole | 5-Methyl-1H-pyrazol-3(2H)-one | 145091-87-8 | 5-methyl-1,2-dihydropyrazol-3-one | 3H-Pyrazol-3-one, 1,2-dihydro-5-methyl- | 1H-pyrazol-5-
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azolines
Subclass
Pyrazolines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazolones
Alternative Parents
Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrazolinone - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazolones. These are compounds containing a pyrazole ring which bears a ketone.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
5-methyl-1,2-dihydropyrazol-3-one
INCHI
InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)
InChIKey
WGVHNCAJPFIFCR-UHFFFAOYSA-N
Smiles
CC1=CC(=O)NN1
Isomeric SMILES
CC1=CC(=O)NN1
Molecular Weight
98.105
Reaxy-Rn
108075
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108075&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
98.100 g/mol
XLogP3
0.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
98.048 Da
Monoisotopic Mass
98.048 Da
Topological Polar Surface Area
41.100 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
128.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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