Chemical ID: 7212091

CC(C(=O)NC1CC[NH+](CC1)C)n2c(c(c(n2)C(F)(F)F)Cl)C3CC3
Chemical ID:
7212091
Name [?]:
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl)-propanamide
SMILES [?]:
CC(C(=O)NC1CC[NH+](CC1)C)n2c(c(c(n2)C(F)(F)F)Cl)C3CC3
InChi [?]:
InChI=1/C16H22ClF3N4O/c1-9(15(25)21-11-5-7-23(2)8-6-11)24-13(10-3-4-10)12(17)14(22-24)16(18,19)20/h9-11H,3-8H2,1-2H3,(H,21,25)/p+1
InChi Info:
AuxInfo=1/1/N:1,12,24,25,7,11,8,10,2,23,6,15,14,16,3,18,22,19,20,21,5,17,9,13,4/E:(3,4)(5,6)(7,8)(18,19,20)/rA:25cCCCONCCCN+CCCNCCCNCFFFClCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s6s10;s9;s2;s13;d14;s15;s13d16;s16;s18;s18;s18;s15;s14;s23;s23s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23ClF3N4O+
All Atoms:48
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:-20.4927
Area:550.699
Solvation:-34.2602
Coulombic:-14.5574
Bond Count [?]
All:27
Single:24
Double:3
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:379.828
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.52
LogP (Chemaxon):1.94

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Descriptor Annotations

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