Chemical ID: 7212869

Cc1c(c(nn1C(C)C(=O)NCCn2cc(cn2)Br)C(F)F)Cl
Chemical ID:
7212869
Name [?]:
N-[2-(4-bromopyrazol-1-yl)ethyl]-2-[4-chloro-3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-propanamide
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)NCCn2cc(cn2)Br)C(F)F)Cl
InChi [?]:
InChI=1/C13H15BrClF2N5O/c1-7-10(15)11(12(16)17)20-22(7)8(2)13(23)18-3-4-21-6-9(14)5-19-21/h5-6,8,12H,3-4H2,1-2H3,(H,18,23)
InChi Info:
AuxInfo=1/1/N:1,8,12,13,17,15,2,7,16,3,4,20,9,19,23,21,22,11,18,5,14,6,10/E:(16,17)/rA:23cCCCCNNCCCONCCNCCCNBrCFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s14;d15;s16;s14d17;s16;s4;s20;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15BrClF2N5O
All Atoms:38
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.06776
Area:555.394
Solvation:-5.81708
Coulombic:-38.0141
Bond Count [?]
All:24
Single:19
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:410.645
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.7
LogP (Chemaxon):1.71

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