Chemical ID: 7193271

C[NH+]1CCN(CC1)C(=O)Cn2c(cc(n2)C(F)(F)F)C3CC3
Chemical ID:
7193271
Name [?]:
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)-ethanone
SMILES [?]:
C[NH+]1CCN(CC1)C(=O)Cn2c(cc(n2)C(F)(F)F)C3CC3
InChi [?]:
InChI=1/C14H19F3N4O/c1-19-4-6-20(7-5-19)13(22)9-21-11(10-2-3-10)8-12(18-21)14(15,16)17/h8,10H,2-7,9H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,21,22,3,7,4,6,13,10,20,12,14,8,16,17,18,19,15,2,5,11,9/E:(2,3)(4,5)(6,7)(15,16,17)/rA:22nCN+CCNCCCOCNCCCNCFFFCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;d12;s13;s11d14;s14;s16;s16;s16;s12;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20F3N4O+
All Atoms:42
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-23.5109
Area:491.112
Solvation:-35.7887
Coulombic:-7.26936
Bond Count [?]
All:24
Single:21
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.33
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.84
LogP (Chemaxon):0.96

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Descriptor Annotations

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