Chemical ID: 7153494

Cn1c(c(c(n1)C(=O)NC23CC4CC(C2)CC(C4)C3)Cl)C(F)(F)F
Chemical ID:
7153494
Name [?]:
N-(1-adamantyl)-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(c(n1)C(=O)NC23CC4CC(C2)CC(C4)C3)Cl)C(F)(F)F
InChi [?]:
InChI=1/C16H19ClF3N3O/c1-23-13(16(18,19)20)11(17)12(22-23)14(24)21-15-5-8-2-9(6-15)4-10(3-8)7-15/h8-10H,2-7H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,13,16,18,15,11,19,14,12,17,4,5,3,7,10,21,20,22,23,24,9,6,2,8/E:(2,3,4)(5,6,7)(8,9,10)(18,19,20)/rA:24nCNCCCNCONCCCCCCCCCCClCFFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;s11;s12;s13;s10s14;s14;s16;s12s17;s10s17;s4;s3;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19ClF3N3O
All Atoms:43
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.89741
Area:482.687
Solvation:-2.16976
Coulombic:-47.0782
Bond Count [?]
All:27
Single:24
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:361.79
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.27
LogP (Chemaxon):2.5

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Descriptor Annotations

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