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2-(1-(2-(4-Chlorophenyl)-5-methylpyrazolo[1，5-a]pyrimidin-7-yl)piperidin-2-yl)ethanol - ≥95%, high purity , CAS No.841253-81-4

COA

Grade & Purity:

≥95%

Cas Number: 841253-81-4
Molecular Weight: 370.88
PubChem CID: 3229907

In stock

Item Number

M708600

Grouped product items
SKU	Size	Availability	Price
M708600-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$294.90
M708600-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$499.90
M708600-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,348.90

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	Pyrazolo[1,5-a]pyrimidines Dialkylarylamines Chlorobenzenes Aminopyrimidines and derivatives Piperidines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylpyrazole - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Dialkylarylamine - Aminopyrimidine - Chlorobenzene - Halobenzene - Benzenoid - Pyrimidine - Aryl chloride - Aryl halide - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary alcohol - Organic oxygen compound - Alcohol - Amine - Aromatic heteropolycyclic 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	2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol
INCHI	InChI=1S/C20H23ClN4O/c1-14-12-20(24-10-3-2-4-17(24)9-11-26)25-19(22-14)13-18(23-25)15-5-7-16(21)8-6-15/h5-8,12-13,17,26H,2-4,9-11H2,1H3
InChIKey	TZWSGOPCLUTFBZ-UHFFFAOYSA-N
Smiles	CC1=NC2=CC(=NN2C(=C1)N3CCCCC3CCO)C4=CC=C(C=C4)Cl
Isomeric SMILES	CC1=NC2=CC(=NN2C(=C1)N3CCCCC3CCO)C4=CC=C(C=C4)Cl
PubChem CID	3229907
Molecular Weight	370.88

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	370.900 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	370.156 Da
Monoisotopic Mass	370.156 Da
Topological Polar Surface Area	53.700 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	459.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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