Chemical ID: 7221016

Cc1cc(nn1CCCNC(=O)CCn2cc(c(n2)C)Br)C(F)(F)F
Chemical ID:
7221016
Name [?]:
3-(4-bromo-3-methyl-pyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
SMILES [?]:
Cc1cc(nn1CCCNC(=O)CCn2cc(c(n2)C)Br)C(F)(F)F
InChi [?]:
InChI=1/C15H19BrF3N5O/c1-10-8-13(15(17,18)19)22-24(10)6-3-5-20-14(25)4-7-23-9-12(16)11(2)21-23/h8-9H,3-7H2,1-2H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:1,20,8,13,9,7,14,3,16,2,18,17,4,11,22,21,23,24,25,10,19,5,15,6,12/E:(17,18,19)/rA:25nCCCCNNCCCNCOCCNCCCNCBrCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;s15d18;s18;s17;s4;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19BrF3N5O
All Atoms:44
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.9095
Area:597.961
Solvation:-4.03953
Coulombic:-46.817
Bond Count [?]
All:26
Single:21
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:422.244
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.61
LogP (Chemaxon):1.88

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