Home Carboxys 5-{[(tert-butoxy)carbonyl]amino}-1-methyl-1H-pyrazole-3-carboxylic acid

5-{[(tert-butoxy)carbonyl]amino}-1-methyl-1H-pyrazole-3-carboxylic acid

CAS No.:
1296224-76-4
Catalog Number:
AG01BIHU
Molecular Formula:
C10H15N3O4
Molecular Weight:
241.2438
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Product Description
Catalog Number:
AG01BIHU
Chemical Name:
5-{[(tert-butoxy)carbonyl]amino}-1-methyl-1H-pyrazole-3-carboxylic acid
CAS Number:
1296224-76-4
Molecular Formula:
C10H15N3O4
Molecular Weight:
241.2438
MDL Number:
MFCD19105263
IUPAC Name:
1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H15N3O4/c1-10(2,3)17-9(16)11-7-5-6(8(14)15)12-13(7)4/h5H,1-4H3,(H,11,16)(H,14,15)
InChI Key:
UYAAOOMCFKWSLZ-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(nn1C)C(=O)O)OC(C)(C)C
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.106g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.247g/mol
Monoisotopic Mass:
241.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties