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Chemical ID: 6300199
Chemical ID:
6300199
Name [?]:
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholino-acetamide
SMILES [?]:
c1c(n(nc1C(F)(F)F)CC(=O)NN2CCOCC2)C3CC3
InChi [?]:
InChI=1/C13H17F3N4O2/c14-13(15,16)11-7-10(9-1-2-9)20(17-11)8-12(21)18-19-3-5-22-6-4-19/h7,9H,1-6,8H2,(H,18,21)
InChi Info:
AuxInfo=1/1/N:21,22,15,19,16,18,1,10,20,2,5,11,6,7,8,9,4,13,14,3,12,17/E:(1,2)(3,4)(5,6)(14,15,16)/rA:22nCCNNCCFFFCCONNCCOCCCCC/rB:d1;s2;s3;s1d4;s5;s6;s6;s6;s3;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s2;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17F3N4O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.4646 |
Area: | 492.467 |
Solvation: | -5.84707 |
Coulombic: | -49.7931 |
Bond Count [?]
All: | 24 |
Single: | 21 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.44 |
LogP (Chemaxon): | 0.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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