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Also known as: 689293-69-4, N-[2-[[[[1-methyl-5-[(triphenylmethyl)amino]-1h-pyrazol-4-yl]amino]carbonyl]amino]ethyl]carbamic acid tert-butyl ester, Tert-butyl [2-({[1-methyl-5-(tritylamino)-1h-pyrazol-4-yl]carbamoyl}amino)ethyl]carbamate, Mfcd24848694, Tert-butyl (2-(3-(1-methyl-5-(tritylamino)-1h-pyrazol-4-yl)ureido)ethyl)carbamate, Tert-butyl n-[2-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoylamino]ethyl]carbamate
Molecular Formula
C31H36N6O3
Molecular Weight
540.7  g/mol
InChI Key
BJTYSZPIWGFSKV-UHFFFAOYSA-N

CAS 689293-69-4
1 2D Structure

CAS 689293-69-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl N-[2-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoylamino]ethyl]carbamate
2.1.2 InChI
InChI=1S/C31H36N6O3/c1-30(2,3)40-29(39)33-21-20-32-28(38)35-26-22-34-37(4)27(26)36-31(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22,36H,20-21H2,1-4H3,(H,33,39)(H2,32,35,38)
2.1.3 InChI Key
BJTYSZPIWGFSKV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)NCCNC(=O)NC1=C(N(N=C1)C)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 689293-69-4

2. N-[2-[[[[1-methyl-5-[(triphenylmethyl)amino]-1h-pyrazol-4-yl]amino]carbonyl]amino]ethyl]carbamic Acid Tert-butyl Ester

3. Tert-butyl [2-({[1-methyl-5-(tritylamino)-1h-pyrazol-4-yl]carbamoyl}amino)ethyl]carbamate

4. Mfcd24848694

5. Tert-butyl (2-(3-(1-methyl-5-(tritylamino)-1h-pyrazol-4-yl)ureido)ethyl)carbamate

6. Tert-butyl N-[2-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoylamino]ethyl]carbamate

7. Tert-butyl [2-(([1-methyl-5-(tritylamino)-1h-pyrazol-4-yl]carbamoyl)amino)ethyl]carbamate

8. Ec 614-818-6

9. Schembl5492718

10. Bjtyszpiwgfskv-uhfffaoysa-n

11. Dtxsid601106683

12. Amy14197

13. Akos025404407

14. Ds-9786

15. Carbamic Acid, N-(2-((((1-methyl-5-((triphenylmethyl)amino)-1h-pyrazol-4-yl)amino)carbonyl)amino)ethyl)-, 1,1-dimethylethyl Ester

16. Sy275091

17. Ds-015867

18. Cs-0161989

19. Ns00006020

20. A915568

21. 1-[2-(boc-amino)ethyl]-3-[1-methyl-5-(tritylamino)-4-pyrazolyl]urea

22. 4-(3-{2-[(tert-butoxycarbonyl)amino]ethyl}ureido)-1-methyl-5-triphenylmethylaminopyrazole

23. 1,1-dimethylethyl N-[2-[[[[1-methyl-5-[(triphenylmethyl)amino]-1h-pyrazol-4-yl]amino]carbonyl]amino]ethyl]carbamate

24. 4-[n-(2-tert-butoxycarbonylaminoethyl)carbamoylamino]-1-methyl-5-triphenylmethylaminopyrazole

25. T-butyl N-(2-{[({1-methyl-5-[(triphenylmethyl)amino]-1h-pyrazol-4-yl}amino)carbonyl]amino}ethyl)carbamate

26. Tert-butyl {2-[({[1-methyl-5-(tritylamino)-1h-pyrazol-4-yl]amino}carbonyl)amino]-ethyl}carbamate

27. Tert-butyl {2-[({[1-methyl-5-(tritylamino)-1h-pyrazol-4-yl]amino}carbonyl)amino]ethyl}carbamate

28. Tert-butyl N-{2-[({1-methyl-5-[(triphenylmethyl)amino]pyrazol-4-yl}carbamoyl)amino]ethyl}carbamate

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 540.7 g/mol
Molecular Formula C31H36N6O3
XLogP34.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area109
Heavy Atom Count40
Formal Charge0
Complexity754
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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