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Chemical ID: 6456910
Chemical ID:
6456910
Name [?]:
N-cyclopentyl-2-[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-acetamide
SMILES [?]:
Cc1cc(nn1CC(=O)NC2CCCC2)C(F)F
InChi [?]:
InChI=1/C12H17F2N3O/c1-8-6-10(12(13)14)16-17(8)7-11(18)15-9-4-2-3-5-9/h6,9,12H,2-5,7H2,1H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,13,14,12,15,3,7,2,11,4,8,16,17,18,10,5,6,9/E:(2,3)(4,5)(13,14)/rA:18nCCCCNNCCONCCCCCCFF/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s11s14;s4;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17F2N3O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.2204 |
Area: | 437.127 |
Solvation: | -4.70778 |
Coulombic: | -34.0117 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 257.28 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.78 |
LogP (Chemaxon): | 0.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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