Home Carboxys 5-[(tert-butoxy)carbonyl]-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid

5-[(tert-butoxy)carbonyl]-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid

CAS No.:
1258641-25-6
Catalog Number:
AG01A8YK
Molecular Formula:
C15H18N2O4
Molecular Weight:
290.3144
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Product Description
Catalog Number:
AG01A8YK
Chemical Name:
5-[(tert-butoxy)carbonyl]-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid
CAS Number:
1258641-25-6
Molecular Formula:
C15H18N2O4
Molecular Weight:
290.3144
MDL Number:
MFCD17480351
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylic acid
InChI:
InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)12-9-11(13(18)19)16-17(12)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3,(H,18,19)
InChI Key:
FQSBMRZGNJYKRT-UHFFFAOYSA-N
SMILES:
O=C(C1CC(=NN1c1ccccc1)C(=O)O)OC(C)(C)C
Properties
Complexity:
447  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.127g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
290.319g/mol
Monoisotopic Mass:
290.127g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties