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872598-92-0 | Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2,5-dimethyl-6-(1-methylethyl)-
CAS No: 872598-92-0 Catalog No: AG004MK6 MDL No:
Product Description
Catalog Number:
AG004MK6
Chemical Name:
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2,5-dimethyl-6-(1-methylethyl)-
CAS Number:
872598-92-0
Molecular Formula:
C11H15N3O
Molecular Weight:
205.2563
IUPAC Name:
2,5-dimethyl-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C11H15N3O/c1-6(2)10-8(4)12-9-5-7(3)13-14(9)11(10)15/h5-6,13H,1-4H3
InChI Key:
NIMHUXMIZMCHMY-UHFFFAOYSA-N
SMILES:
Cc1nn2c(c1)[nH]c(c(c2=O)C(C)C)C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.122g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.261g/mol
Monoisotopic Mass:
205.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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