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3-(3-Methyl-1H-pyrazol-1-yl)propanoic acid - Reagent Grade, high purity , CAS No.72145-00-7
Basic Description
Synonyms
EN300-83561 | AG-664/25098017 | 3-(3-Methyl-1H-pyrazol-1-yl)propanoic acid, AldrichCPR | 3-(3-methyl-1H-pyrazol-1-yl)propanoic acid | FS-1866 | SMR000274395 | MFCD00577274 | FT-0738316 | HMS2697K06 | 3-(3-methylpyrazol-1-yl)propanoic acid | DTXSID80354598
Specifications & Purity
Reagent grade
Legal Information
Product of ChemBridge Corp.
Grade
Reagent Grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazoles
Alternative Parents
Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Heteroaromatic compound - Pyrazole - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.
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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
3-(3-methylpyrazol-1-yl)propanoic acid
INCHI
InChI=1S/C7H10N2O2/c1-6-2-4-9(8-6)5-3-7(10)11/h2,4H,3,5H2,1H3,(H,10,11)
InChIKey
FPLLCFQUZAEVIE-UHFFFAOYSA-N
Smiles
CC1=NN(C=C1)CCC(=O)O
Isomeric SMILES
CC1=NN(C=C1)CCC(=O)O
Molecular Weight
154.17
Reaxy-Rn
511354
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=511354&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
154.170 g/mol
XLogP3
0.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
154.074 Da
Monoisotopic Mass
154.074 Da
Topological Polar Surface Area
55.100 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
149.000
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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