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Chemical ID: 6300099
Chemical ID:
6300099
Name [?]:
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-piperidyl)acetamide
SMILES [?]:
c1c(n(nc1C(F)(F)F)CC(=O)NN2CCCCC2)C3CC3
InChi [?]:
InChI=1/C14H19F3N4O/c15-14(16,17)12-8-11(10-4-5-10)21(18-12)9-13(22)19-20-6-2-1-3-7-20/h8,10H,1-7,9H2,(H,19,22)
InChi Info:
AuxInfo=1/1/N:17,16,18,21,22,15,19,1,10,20,2,5,11,6,7,8,9,4,13,14,3,12/E:(2,3)(4,5)(6,7)(15,16,17)/rA:22nCCNNCCFFFCCONNCCCCCCCC/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: | C14H19F3N4O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.76492 |
Area: | 496.759 |
Solvation: | -4.65406 |
Coulombic: | -42.0238 |
Bond Count [?]
All: | 24 |
Single: | 21 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 316.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.7 |
LogP (Chemaxon): | 1.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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