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Chemical ID: 7197280
Chemical ID:
7197280
Name [?]:
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate
SMILES [?]:
c1c(n(nc1C(F)(F)F)CCC(=O)[O-])C2CC2
InChi [?]:
InChI=1/C10H11F3N2O2/c11-10(12,13)8-5-7(6-1-2-6)15(14-8)4-3-9(16)17/h5-6H,1-4H2,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:16,17,11,10,1,15,2,5,12,6,7,8,9,4,3,13,14/E:(1,2)(11,12,13)(16,17)/rA:17nCCNNCCFFFCCCOO-CCC/rB:d1;s2;s3;s1d4;s5;s6;s6;s6;s3;s10;s11;d12;s12;s2;s15;s15s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10F3N2O2- |
All Atoms: | 27 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -33.6249 |
Area: | 407.066 |
Solvation: | -43.8015 |
Coulombic: | -22.8376 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 247.194 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.94 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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