Chemical ID: 7212863

CC[NH+]1CCC(CC1)NC(=O)Cn2c(c(c(n2)C(F)(F)F)Cl)C3CC3
Chemical ID:
7212863
Name [?]:
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl)-acetamide
SMILES [?]:
CC[NH+]1CCC(CC1)NC(=O)Cn2c(c(c(n2)C(F)(F)F)Cl)C3CC3
InChi [?]:
InChI=1/C16H22ClF3N4O/c1-2-23-7-5-11(6-8-23)21-12(25)9-24-14(10-3-4-10)13(17)15(22-24)16(18,19)20/h10-11H,2-9H2,1H3,(H,21,25)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,24,25,5,7,4,8,12,23,6,10,15,14,16,18,22,19,20,21,9,17,3,13,11/E:(3,4)(5,6)(7,8)(18,19,20)/rA:25nCCN+CCCCCNCOCNCCCNCFFFClCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;d10;s10;s12;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:0
ZAP Information [?]
Total:-19.6657
Area:555.264
Solvation:-33.5473
Coulombic:-14.3746
Bond Count [?]
All:27
Single:24
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:379.828
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.41
LogP (Chemaxon):1.74

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Descriptor Annotations

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