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Home Other Building Blocks N-METHYL-1-(1-PHENYL-1H-PYRAZOL-4-YL)METHANAMINE

N-METHYL-1-(1-PHENYL-1H-PYRAZOL-4-YL)METHANAMINE

CAS No.:
868552-05-0
Catalog Number:
AG008EPR
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
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Product Description
Catalog Number:
AG008EPR
Chemical Name:
N-METHYL-1-(1-PHENYL-1H-PYRAZOL-4-YL)METHANAMINE
CAS Number:
868552-05-0
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
IUPAC Name:
N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
InChI:
InChI=1S/C11H13N3/c1-12-7-10-8-13-14(9-10)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3
InChI Key:
SZXULAAYIBSASF-UHFFFAOYSA-N
SMILES:
CNCc1cnn(c1)c1ccccc1
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.111g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties