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Chemical ID: 7197297
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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