Chemical ID: 7211025

Cn1c(c(c(n1)C(F)(F)F)Cl)C(=O)NC2C3CC4CC(C3)CC2C4
Chemical ID:
7211025
Name [?]:
N-(2-adamantyl)-4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(c(n1)C(F)(F)F)Cl)C(=O)NC2C3CC4CC(C3)CC2C4
InChi [?]:
InChI=1/C16H19ClF3N3O/c1-23-13(11(17)14(22-23)16(18,19)20)15(24)21-12-9-3-7-2-8(5-9)6-10(12)4-7/h7-10,12H,2-6H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,19,17,24,21,22,18,20,16,23,4,15,3,5,12,7,11,8,9,10,14,6,2,13/E:(3,4,5,6)(7,8)(9,10)(18,19,20)/rA:24nCNCCCNCFFFClCONCCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s5;s7;s7;s7;s4;s3;d12;s12;s14;s15;s16;s17;s18;s19;s16s20;s20;s15s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19ClF3N3O
All Atoms:43
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.80673
Area:489.556
Solvation:-2.43217
Coulombic:-46.7364
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:4.16
LogP (Chemaxon):2.83

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Descriptor Annotations

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