Chemical ID: 7154970

c1c(cn(n1)CCCNC(=O)CCn2c(c(c(n2)C(F)(F)F)Cl)C3CC3)Br
Chemical ID:
7154970
Name [?]:
N-[3-(4-bromopyrazol-1-yl)propyl]-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-propanamide
SMILES [?]:
c1c(cn(n1)CCCNC(=O)CCn2c(c(c(n2)C(F)(F)F)Cl)C3CC3)Br
InChi [?]:
InChI=1/C16H18BrClF3N5O/c17-11-8-23-25(9-11)6-1-5-22-12(27)4-7-26-14(10-2-3-10)13(18)15(24-26)16(19,20)21/h8-10H,1-7H2,(H,22,27)
InChi Info:
AuxInfo=1/1/N:7,25,26,12,8,6,13,1,3,24,2,10,16,15,17,19,27,23,20,21,22,9,5,18,4,14,11/E:(2,3)(19,20,21)/rA:27nCCCNNCCCNCOCCNCCCNCFFFClCCCBr/rB:s1;d2;s3;d1s4;s4;s6;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;s14d17;s17;s19;s19;s19;s16;s15;s24;s24s25;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18BrClF3N5O
All Atoms:45
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.7956
Area:630.031
Solvation:-3.95516
Coulombic:-47.6019
Bond Count [?]
All:29
Single:24
Double:5
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:468.699
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.21
LogP (Chemaxon):2.59

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