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173678-19-8 | Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 3-(4-chlorophenyl)-7-methyl-, ethyl ester
CAS No: 173678-19-8 Catalog No: AG001Z3C MDL No:MFCD03712220
Product Description
Catalog Number:
AG001Z3C
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 3-(4-chlorophenyl)-7-methyl-, ethyl ester
CAS Number:
173678-19-8
Molecular Formula:
C16H14ClN3O2
Molecular Weight:
315.7543
MDL Number:
MFCD03712220
IUPAC Name:
ethyl 3-(4-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)11-4-6-12(17)7-5-11/h4-9H,3H2,1-2H3
InChI Key:
ODSDVMWLQNVYGN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2n(c1C)ncc2c1ccc(cc1)Cl
Properties
Complexity:
401
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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