AG00BF4K

271576-80-8 | 3-[N-(2-Hydroxyacetyl)-4-piperidyl]-4-(4-pyrimidinyl)-5-(4-chlorophenyl)pyrazole

AG00BF4K

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CAS Number	271576-80-8
Catalog Number	AG00BF4K(AGN-PC-0R308S)
Chemical Name	3-[N-(2-Hydroxyacetyl)-4-piperidyl]-4-(4-pyrimidinyl)-5-(4-chlorophenyl)pyrazole
IUPAC Name	1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
InChI	InChI=1S/C20H20ClN5O2/c21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27/h1-5,8,12,14,27H,6-7,9-11H2,(H,24,25)
InChI Key	CATQHDWESBRRQA-UHFFFAOYSA-N
MDL Number	MFCD17019341
Molecular Formula	C20H20ClN5O2
Molecular Weight	397.8581
SMILES	OCC(N1CCC(CC1)C2=NNC(C3=CC=C(C=C3)Cl)=C2C4=NC=NC=C4)=O
UNII	C57VF8YO91
Synonyms	SD 0006, SD-0006, SD0006, SD-06, 271576-80-8, UNII-C57VF8YO91, 2-{4-[5-(4-Chlorophenyl)-4-Pyrimidin-4-Yl-1h-Pyrazol-3-Yl]piperidin-1-Yl}-2-Oxoethanol, C57VF8YO91, CHEMBL1090173, CHEBI:82712, SD 0006, SD-0006, 1-(4-(5-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazol-3-yl)piperidin-1-yl)-2-hydroxyethanone, J-503197, 1-{4-[5-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazol-3-yl]piperidin-1-yl}-2-hydroxyethanone, 3hl7, SCHEMBL4891685, DTXSID60432080, SYN1078, HMS3244I19, HMS3244I20, HMS3244J19, SD 06;SD06, SD-06/SD06, BCP21625, EX-A2504, ZINC6718469, 4033AH, BDBM50315123, RS0057, SD0006, AKOS030526762, CS-0446, DB07943, NCGC00345832-01, NCGC00345832-02, AS-16233, HY-11087, W-5673, 5-p-chlorophenyl-3-[N-(2-hydroxyacetyl)piperidin-4-yl]-4-pyrimidin-4-yl-1H-pyrazole, n-(2-hydroxyacetyl)-5-(4-piperidyl)-4-(4-pyrimidinyl)-3-(4-chlorophenyl)pyrazole, Piperidine, 4-(5-(4-chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-3-yl)-1-(hydroxyacetyl)-, 1-(4-(3-(4-Chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl)-1-piperidinyl)-2-hydroxyethanone, 1-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)-2-hydroxyethanone, 1-(4-(5-(4-Chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-3-yl)-1-piperidinyl)-2-hydroxyethanone, Ethanone, 1-(4-(5-(4-chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-3-yl)-1-piperidinyl)-2-hydroxy-, I47, C20H20ClN5O2, CID9865587, A11563, 1-[4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-2H-pyrazol-3-yl]-1-piperidyl]-2-hydroxy-ethanone,

Complexity	523
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	397.131g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	397.863g/mol
Monoisotopic Mass	397.131g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	95A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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