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140705-38-0 | Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 2-(1,1-dimethylethyl)-
CAS No: 140705-38-0 Catalog No: AG001CPL MDL No:
Product Description
Catalog Number:
AG001CPL
Chemical Name:
Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 2-(1,1-dimethylethyl)-
CAS Number:
140705-38-0
Molecular Formula:
C10H13N3O
Molecular Weight:
191.2297
IUPAC Name:
2-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
InChI:
InChI=1S/C10H13N3O/c1-10(2,3)7-6-8-11-9(14)4-5-13(8)12-7/h4-6H,1-3H3,(H,11,14)
InChI Key:
WLMWEDNRSXWTQZ-UHFFFAOYSA-N
SMILES:
CC(c1cc2n(n1)ccc(=O)[nH]2)(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.234g/mol
Monoisotopic Mass:
191.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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