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1394003-94-1 | Carbamic acid, N-pyrazolo[1,5-a]pyrimidin-2-yl-, 1,1-dimethylethyl ester
CAS No: 1394003-94-1 Catalog No: AG001AYC MDL No:
Product Description
Catalog Number:
AG001AYC
Chemical Name:
Carbamic acid, N-pyrazolo[1,5-a]pyrimidin-2-yl-, 1,1-dimethylethyl ester
CAS Number:
1394003-94-1
Molecular Formula:
C11H14N4O2
Molecular Weight:
234.2545
IUPAC Name:
tert-butyl N-pyrazolo[1,5-a]pyrimidin-2-ylcarbamate
InChI:
InChI=1S/C11H14N4O2/c1-11(2,3)17-10(16)13-8-7-9-12-5-4-6-15(9)14-8/h4-7H,1-3H3,(H,13,14,16)
InChI Key:
JHESLHSAPMWRQO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1nn2c(c1)nccc2
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.259g/mol
Monoisotopic Mass:
234.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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