Chemical ID: 7197297

c1c(n(nc1C(F)(F)F)CCC[NH3+])C2CC2
Chemical ID:
7197297
Name [?]:
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propylammonium
SMILES [?]:
c1c(n(nc1C(F)(F)F)CCC[NH3+])C2CC2
InChi [?]:
InChI=1/C10H14F3N3/c11-10(12,13)9-6-8(7-2-3-7)16(15-9)5-1-4-14/h6-7H,1-5,14H2/p+1
InChi Info:
AuxInfo=1/1/N:11,15,16,12,10,1,14,2,5,6,7,8,9,13,4,3/E:(2,3)(11,12,13)/rA:16nCCNNCCFFFCCCN+CCC/rB:d1;s2;s3;s1d4;s5;s6;s6;s6;s3;s10;s11;s12;s2;s14;s14s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H15F3N3+
All Atoms:31
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-32.3524
Area:401.83
Solvation:-42.3982
Coulombic:20.0984
Bond Count [?]
All:17
Single:15
Double:2
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:234.242
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.46
LogP (Chemaxon):1.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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