Home Carbonyls 3-((Tert-Butoxycarbonyl)(Methyl)Amino)-1-Methyl-1H-Pyrazole-5-Carboxylic Acid

3-((Tert-Butoxycarbonyl)(Methyl)Amino)-1-Methyl-1H-Pyrazole-5-Carboxylic Acid

CAS No.:
1692905-99-9
Catalog Number:
AG00HZAK
Molecular Formula:
C11H17N3O4
Molecular Weight:
255.2704
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Product Description
Catalog Number:
AG00HZAK
Chemical Name:
3-((Tert-Butoxycarbonyl)(Methyl)Amino)-1-Methyl-1H-Pyrazole-5-Carboxylic Acid
CAS Number:
1692905-99-9
Molecular Formula:
C11H17N3O4
Molecular Weight:
255.2704
MDL Number:
MFCD29917007
IUPAC Name:
2-methyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)13(4)8-6-7(9(15)16)14(5)12-8/h6H,1-5H3,(H,15,16)
InChI Key:
RAIJRWAKLFSEMS-UHFFFAOYSA-N
SMILES:
CN(c1cc(n(n1)C)C(=O)O)C(=O)OC(C)(C)C
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.122g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.274g/mol
Monoisotopic Mass:
255.122g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties