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1227743-61-4 | 2-Propanol, 1-[[[3,5-dimethyl-1-(phenylmethyl)-1H-pyrazol-4-yl]methyl]methylamino]-3-phenoxy-
CAS No: 1227743-61-4 Catalog No: AG000JFS MDL No:
Product Description
Catalog Number:
AG000JFS
Chemical Name:
2-Propanol, 1-[[[3,5-dimethyl-1-(phenylmethyl)-1H-pyrazol-4-yl]methyl]methylamino]-3-phenoxy-
CAS Number:
1227743-61-4
Molecular Formula:
C23H29N3O2
Molecular Weight:
379.4953
IUPAC Name:
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]-3-phenoxypropan-2-ol
InChI:
InChI=1S/C23H29N3O2/c1-18-23(19(2)26(24-18)14-20-10-6-4-7-11-20)16-25(3)15-21(27)17-28-22-12-8-5-9-13-22/h4-13,21,27H,14-17H2,1-3H3
InChI Key:
WITPFRNFEGTONT-UHFFFAOYSA-N
SMILES:
OC(CN(Cc1c(C)nn(c1C)Cc1ccccc1)C)COc1ccccc1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.226g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.504g/mol
Monoisotopic Mass:
379.226g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
50.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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