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893613-25-7 | Pyrazolo[1,5-a]pyrimidine-6-propanol,2-(2-methoxyphenyl)-
CAS No: 893613-25-7 Catalog No: AG003XPX MDL No:MFCD08056220
Product Description
Catalog Number:
AG003XPX
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-6-propanol,2-(2-methoxyphenyl)-
CAS Number:
893613-25-7
Molecular Formula:
C16H17N3O2
Molecular Weight:
283.3251
MDL Number:
MFCD08056220
IUPAC Name:
3-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
InChI:
InChI=1S/C16H17N3O2/c1-21-15-7-3-2-6-13(15)14-9-16-17-10-12(5-4-8-20)11-19(16)18-14/h2-3,6-7,9-11,20H,4-5,8H2,1H3
InChI Key:
LGNWANRSZWJPQT-UHFFFAOYSA-N
SMILES:
OCCCc1cnc2n(c1)nc(c2)c1ccccc1OC
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.331g/mol
Monoisotopic Mass:
283.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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