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Home Halogens 4-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzohydrazide

4-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzohydrazide

CAS No.:
387344-94-7
Catalog Number:
AG00JK9Z
Molecular Formula:
C13H15ClN4O
Molecular Weight:
278.7374
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Product Description
Catalog Number:
AG00JK9Z
Chemical Name:
4-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzohydrazide
CAS Number:
387344-94-7
Molecular Formula:
C13H15ClN4O
Molecular Weight:
278.7374
MDL Number:
MFCD01853302
IUPAC Name:
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide
InChI:
InChI=1S/C13H15ClN4O/c1-8-12(14)9(2)18(17-8)7-10-3-5-11(6-4-10)13(19)16-15/h3-6H,7,15H2,1-2H3,(H,16,19)
InChI Key:
WKCUCRZZLCCQMT-UHFFFAOYSA-N
SMILES:
NNC(=O)c1ccc(cc1)Cn1nc(c(c1C)Cl)C
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.093g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
278.74g/mol
Monoisotopic Mass:
278.093g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties