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4-Methyl-5-phenyl-2H-pyrazol-3-ylamine - 95%, high purity , CAS No.66367-67-7

COA

Grade & Purity:

≥95%

Cas Number: 66367-67-7
Molecular Weight: 173.21
PubChem CID: 318446

In stock

Item Number

M194470

Grouped product items
SKU	Size	Availability	Price	Qty
M194470-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$78.90
M194470-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$170.90

Basic Description

Synonyms	4-Methyl-5-phenyl-2H-pyrazol-3-ylamine \| 66367-67-7 \| 4-methyl-5-phenyl-1H-pyrazol-3-amine \| 890014-38-7 \| 4-METHYL-3-PHENYL-1H-PYRAZOL-5-AMINE \| 3-Amino-4-methyl-5-phenylpyrazole \| NSC255001 \| SCHEMBL4005629 \| SCHEMBL8684331 \| DTXSID60985001 \| PJNHMZXAVFWBIL-UHFFFAOYSA-N \| BC
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Imidolactam - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	4-methyl-5-phenyl-1H-pyrazol-3-amine
INCHI	InChI=1S/C10H11N3/c1-7-9(12-13-10(7)11)8-5-3-2-4-6-8/h2-6H,1H3,(H3,11,12,13)
InChIKey	PJNHMZXAVFWBIL-UHFFFAOYSA-N
Smiles	CC1=C(NN=C1N)C2=CC=CC=C2
Isomeric SMILES	CC1=C(NN=C1N)C2=CC=CC=C2
Molecular Weight	173.21
Reaxy-Rn	7569
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7569&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	173.210 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	173.095 Da
Monoisotopic Mass	173.095 Da
Topological Polar Surface Area	54.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	166.000
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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