AG0030CS

304909-07-7 | 1-Piperazinamine, N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-(phenylmethyl)-

AG0030CS

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CAS Number	304909-07-7
Catalog Number	AG0030CS(AGN-PC-0K45G2)
Chemical Name	1-Piperazinamine, N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-(phenylmethyl)-
IUPAC Name	(E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine
InChI	InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3/b24-17+
InChI Key	FOORCIAZMIWALX-JJIBRWJFSA-N
MDL Number	MFCD01827306
Molecular Formula	C23H27N5
Molecular Weight	373.4940
NSC Number	731871
SMILES	Cc1nn(c(c1C=NN1CCN(CC1)Cc1ccccc1)C)c1ccccc1
Synonyms	SANT-1, 304909-07-7, MFCD01827306, Shh Signaling Antagonist V, CHEMBL515916, (4-Benzyl-piperazin-1-yl)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene)-amine, (E)-4-Benzyl-N-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)piperazin-1-amine, N-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-(phenylmethyl)-1-piperazinamine, AC1OBMCF, SCHEMBL1503099, SCHEMBL10063651, CHEBI:93466, DTXSID90425965, (E)-N-(4-Benzylpiperazin-1-Yl)-1-(3,5-Dimethyl-1-Phenyl-1h-Pyrazol-4-Yl)methanimine, N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine, N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine, HMS3676P14, C23H27N5, EX-A1250, Tox21_500396, 2700AH, BDBM50249488, NSC731871, s7092, STL361943, ZINC12372218, AKOS001011845, API0000824, NSC-731871, SB19500, 1-Piperazinamine, N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-(phenylmethyl)-, NCGC00092291-01, NCGC00092291-03, NCGC00186003-01, NCGC00261081-01, BC251084, UPCMLD0ENAT0503-7093:001, HY-100224, RT-015632, CS-0018354, J-017988, BRD-K83637872-001-01-7, 4-benzyl-N-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)piperazin-1-amine, 4-benzyl-N-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]piperazin-1-amine, N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4- (phenylmethyl)-1-piperazinamine, FOORCIAZMIWALX-JJIBRWJFSA-N, CID6878030, A8659, A13095, (E)-N-(4-BENZYLPIPERAZIN-1-YL)-1-(3,5-DIMETHYL-1-PHENYLPYRAZOL-4-YL)METHANIMINE, N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methanimine,

Complexity	489
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	373.227g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	373.504g/mol
Monoisotopic Mass	373.227g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	36.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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