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1h-pyrazole-4-carboxamide, 3-amino-5-methoxy- - 97%, high purity , CAS No.111375-25-8
Discover 1h-pyrazole-4-carboxamide, 3-amino-5-methoxy- by Aladdin Scientific in 97% for only $2,102.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
111375-25-8 | 3-AMINO-5-METHOXY-1H-PYRAZOLE-4-CARBOXAMIDE | 5-amino-3-methoxy-1H-pyrazole-4-carboxamide | 1H-PYRAZOLE-4-CARBOXAMIDE, 3-AMINO-5-METHOXY- | 1H-Pyrazole-4-carboxamide,3-amino-5-methoxy-(9CI) | DTXSID101262600 | MFCD16619822 | AKOS000146157 | AKOS025291032 | PB
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Pyrazole carboxylic acids and derivatives
Direct Parent
Pyrazole-4-carboxamides
Alternative Parents
Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrazole-4-carboxamide - Alkyl aryl ether - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazole-4-carboxamides. These are compounds containing a pyrazole ring that carries a carboxamide group at the 4-position.
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
3-amino-5-methoxy-1H-pyrazole-4-carboxamide
INCHI
InChI=1S/C5H8N4O2/c1-11-5-2(4(7)10)3(6)8-9-5/h1H3,(H2,7,10)(H3,6,8,9)
InChIKey
IYCFIZNNSUHJFR-UHFFFAOYSA-N
Smiles
COC1=C(C(=NN1)N)C(=O)N
Isomeric SMILES
COC1=C(C(=NN1)N)C(=O)N
Molecular Weight
156.145
Reaxy-Rn
5515811
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5515811&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
156.140 g/mol
XLogP3
-0.400
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
156.065 Da
Monoisotopic Mass
156.065 Da
Topological Polar Surface Area
107.000 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
163.000
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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