Chemical ID: 6300099

c1c(n(nc1C(F)(F)F)CC(=O)NN2CCCCC2)C3CC3
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

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