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162286-54-6 | Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 2,7-dimethyl-, ethyl ester
CAS No: 162286-54-6 Catalog No: AG001SYG MDL No:MFCD00067896
Product Description
Catalog Number:
AG001SYG
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 2,7-dimethyl-, ethyl ester
CAS Number:
162286-54-6
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
MDL Number:
MFCD00067896
IUPAC Name:
ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
InChI:
InChI=1S/C11H13N3O2/c1-4-16-11(15)9-6-12-10-5-7(2)13-14(10)8(9)3/h5-6H,4H2,1-3H3
InChI Key:
NPHJHMNEJZRHGG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2n(c1C)nc(c2)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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