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174858-58-3 | Benzamide, N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)-
CAS No: 174858-58-3 Catalog No: AG002002 MDL No:
Product Description
Catalog Number:
AG002002
Chemical Name:
Benzamide, N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)-
CAS Number:
174858-58-3
Molecular Formula:
C18H17F3N4O
Molecular Weight:
362.3490
IUPAC Name:
N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)benzamide
InChI:
InChI=1S/C18H17F3N4O/c1-2-3-6-12-11-16(25-15(23-12)9-10-22-25)24-17(26)13-7-4-5-8-14(13)18(19,20)21/h4-5,7-11H,2-3,6H2,1H3,(H,24,26)
InChI Key:
UIWRXWVBYPEKOZ-UHFFFAOYSA-N
SMILES:
CCCCc1cc(NC(=O)c2ccccc2C(F)(F)F)n2c(n1)ccn2
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.135g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.356g/mol
Monoisotopic Mass:
362.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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