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893613-21-3 | Pyrazolo[1,5-a]pyrimidine-6-propanol,3-(2-thienyl)-
CAS No: 893613-21-3 Catalog No: AG003X5C MDL No:MFCD08056219
Product Description
Catalog Number:
AG003X5C
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-6-propanol,3-(2-thienyl)-
CAS Number:
893613-21-3
Molecular Formula:
C13H13N3OS
Molecular Weight:
259.3268
MDL Number:
MFCD08056219
IUPAC Name:
3-(3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol
InChI:
InChI=1S/C13H13N3OS/c17-5-1-3-10-7-14-13-11(8-15-16(13)9-10)12-4-2-6-18-12/h2,4,6-9,17H,1,3,5H2
InChI Key:
LUJSKLGTRNOPKP-UHFFFAOYSA-N
SMILES:
OCCCc1cnc2n(c1)ncc2c1cccs1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.327g/mol
Monoisotopic Mass:
259.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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