AG000SS3

126417-84-3 | 1H-Pyrazol-5-amine, 3-(4-bromophenyl)-1-methyl-

AG000SS3

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CAS Number	126417-84-3
Catalog Number	AG000SS3(AGN-PC-0LQ70T)
Chemical Name	1H-Pyrazol-5-amine, 3-(4-bromophenyl)-1-methyl-
IUPAC Name	5-(4-bromophenyl)-2-methylpyrazol-3-amine
InChI	InChI=1S/C10H10BrN3/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
InChI Key	KUESYSPYXWCXTQ-UHFFFAOYSA-N
MDL Number	MFCD00558940
Molecular Formula	C10H10BrN3
Molecular Weight	252.1105
SMILES	NC1=CC(C2=CC=C(Br)C=C2)=NN1C
Synonyms	126417-84-3, 3-(4-BROMOPHENYL)-1-METHYL-1H-PYRAZOL-5-AMINE, 5-(4-BROMO-PHENYL)-2-METHYL-2H-PYRAZOL-3-YLAMINE, 5-(4-bromophenyl)-2-methylpyrazol-3-amine, 5-Amino-3-(4-bromophenyl)-1-methylpyrazole, 1H-Pyrazol-5-amine, 3-(4-bromophenyl)-1-methyl-, CBMicro_005361, ACMC-20mrzf, AC1NSPRK, SCHEMBL10112206, CTK0H0226, DTXSID00416728, SMSF0004501, MFCD00558940, ZINC22340393, AKOS009335175, AB06454, CB07429, CS-W000677, AJ-81360, AS-48603, CJ-17372, BIM-0005130.P001, DB-062479, 5-(4-bromophenyl)-2-methyl-3-pyrazolamine, FT-0767727, Z9323, 5-(4-bromophenyl)-2-methyl-pyrazol-3-amine, K-3936, A805554, C10H10BrN3, CID5337859,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.006g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	252.115g/mol
Monoisotopic Mass	251.006g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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