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MLS000067854,STK049371,ZINC00208604,BAS 05427486,SMR000122455,EU-00487

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摘 要:MLS000067854,STK049371,ZINC00208604,BAS 05427486,SMR000122455,EU-0048743,2,5-Dimethyl-7-phenyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile,Canonical SMILES: CC1=NC2=C(C(=NN2C(=C1)C3=CC=CC=C3
[Synonyms]
MLS000067854
STK049371
ZINC00208604
BAS 05427486
SMR000122455
EU-0048743
2,5-Dimethyl-7-phenyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

[Structure]
MLS000067854,STK049371,ZINC00208604,BAS 05427486,SMR000122455,EU-00487

[ Properties Computed from Structure]
Molecular Weight248.28258 [g/mol]
Molecular FormulaC15H12N4
XLogP1.4
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count1
Exact Mass248.106196
MonoIsotopic Mass248.106196
Topological Polar Surface Area54
Heavy Atom Count19
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
Canonical SMILES: CC1=NC2=C(C(=NN2C(=C1)C3=CC=CC=C3)C)C#N
InChI: InChI=1/C15H12N4/c1-10-8-14(12-6-4-3-5-7-12)19-15(17-10)13(9-16)11(2)18-
19/h3-8H,1-2H3

 
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