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1439824-04-0 | 1H-Pyrazole-1-carboxylic acid, 3-[bis[(1,1-dimethylethoxy)carbonyl]amino]-5-(1-hydroxyethyl)-, 1,1-dimethylethyl ester
CAS No: 1439824-04-0 Catalog No: AG001IOU MDL No:MFCD22690763
Product Description
Catalog Number:
AG001IOU
Chemical Name:
1H-Pyrazole-1-carboxylic acid, 3-[bis[(1,1-dimethylethoxy)carbonyl]amino]-5-(1-hydroxyethyl)-, 1,1-dimethylethyl ester
CAS Number:
1439824-04-0
Molecular Formula:
C20H33N3O7
Molecular Weight:
427.4919
MDL Number:
MFCD22690763
IUPAC Name:
tert-butyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-(1-hydroxyethyl)pyrazole-1-carboxylate
InChI:
InChI=1S/C20H33N3O7/c1-12(24)13-11-14(21-23(13)17(27)30-20(8,9)10)22(15(25)28-18(2,3)4)16(26)29-19(5,6)7/h11-12,24H,1-10H3
InChI Key:
GZCNNOZZDUPMKM-UHFFFAOYSA-N
SMILES:
O=C(N(C(=O)OC(C)(C)C)c1cc(n(n1)C(=O)OC(C)(C)C)C(O)C)OC(C)(C)C
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.232g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.498g/mol
Monoisotopic Mass:
427.232g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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