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Chemical ID: 7153211
Chemical ID:
7153211
Name [?]:
4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(c(n1)C(=O)NC2CCCC2)Cl)C(F)(F)F
InChi [?]:
InChI=1/C11H13ClF3N3O/c1-18-9(11(13,14)15)7(12)8(17-18)10(19)16-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,12,13,11,14,10,4,5,3,7,16,15,17,18,19,9,6,2,8/E:(2,3)(4,5)(13,14,15)/rA:19nCNCCCNCONCCCCCClCFFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;s11;s12;s10s13;s4;s3;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13ClF3N3O |
All Atoms: | 32 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.69754 |
Area: | 437.704 |
Solvation: | -2.24505 |
Coulombic: | -46.585 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 295.688 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.65 |
LogP (Chemaxon): | 1.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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