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893613-29-1 | Pyrazolo[1,5-a]pyrimidine-6-propanol,2-[4-(dimethylamino)phenyl]-
CAS No: 893613-29-1 Catalog No: AG003X5B MDL No:MFCD08056221
Product Description
Catalog Number:
AG003X5B
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-6-propanol,2-[4-(dimethylamino)phenyl]-
CAS Number:
893613-29-1
Molecular Formula:
C17H20N4O
Molecular Weight:
296.3669
MDL Number:
MFCD08056221
IUPAC Name:
3-[2-[4-(dimethylamino)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
InChI:
InChI=1S/C17H20N4O/c1-20(2)15-7-5-14(6-8-15)16-10-17-18-11-13(4-3-9-22)12-21(17)19-16/h5-8,10-12,22H,3-4,9H2,1-2H3
InChI Key:
QLBTXEGUCKVMBQ-UHFFFAOYSA-N
SMILES:
OCCCc1cnc2n(c1)nc(c2)c1ccc(cc1)N(C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.164g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.374g/mol
Monoisotopic Mass:
296.164g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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