Chemical ID: 6456910

Cc1cc(nn1CC(=O)NC2CCCC2)C(F)F
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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Descriptor Annotations

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