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5-Benzo[1,3]dioxol-5-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (adamantan-1-ylmethyl)-amide

View entire compound with spectra: 1 MS (GC)

5-Benzo[1,3]dioxol-5-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (adamantan-1-ylmethyl)-amide
SpectraBase Compound ID JYNdNe3mmMx
InChI InChI=1S/C26H29F3N4O3/c27-26(28,29)22-7-18(17-1-2-20-21(6-17)36-13-35-20)31-23-8-19(32-33(22)23)24(34)30-12-25-9-14-3-15(10-25)5-16(4-14)11-25/h1-2,6,8,14-16,18,22,31H,3-5,7,9-13H2,(H,30,34)
InChIKey DREGWLFYHMDYBZ-UHFFFAOYSA-N
Mol Weight 502.54 g/mol
Molecular Formula C26H29F3N4O3
Exact Mass 502.219175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7O682ANb7zd
Name 5-Benzo[1,3]dioxol-5-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (adamantan-1-ylmethyl)-amide
Alternate Name(s) N-(1-adamantylmethyl)-5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29F3N4O3
InChI InChI=1S/C26H29F3N4O3/c27-26(28,29)22-7-18(17-1-2-20-21(6-17)36-13-35-20)31-23-8-19(32-33(22)23)24(34)30-12-25-9-14-3-15(10-25)5-16(4-14)11-25/h1-2,6,8,14-16,18,22,31H,3-5,7,9-13H2,(H,30,34)
InChIKey DREGWLFYHMDYBZ-UHFFFAOYSA-N
Molecular Weight 502.538 g/mol
SMILES N(C(c1n[n]2c(c1)NC(CC2C(F)(F)F)c1cc2c(OCO2)cc1)=O)CC12CC3CC(C2)CC(C1)C3
SPLASH splash10-03dr-5901000000-0b123c871c630df35e22
Wiley ID 1443543