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162287-00-5 | Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 3-(3-chlorophenyl)-7-methyl-, ethyl ester
CAS No: 162287-00-5 Catalog No: AG001SYE MDL No:
Product Description
Catalog Number:
AG001SYE
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 3-(3-chlorophenyl)-7-methyl-, ethyl ester
CAS Number:
162287-00-5
Molecular Formula:
C16H14ClN3O2
Molecular Weight:
315.7543
IUPAC Name:
ethyl 3-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
InChI:
InChI=1S/C16H14ClN3O2/c1-3-22-16(21)13-8-18-15-14(9-19-20(15)10(13)2)11-5-4-6-12(17)7-11/h4-9H,3H2,1-2H3
InChI Key:
FHWAFSRCRNEWTP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2n(c1C)ncc2c1cccc(c1)Cl
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.757g/mol
Monoisotopic Mass:
315.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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