Chemical ID: 7152502

Cn1c(c(c(n1)C(F)(F)F)Cl)C(=O)N(C2CCCCC2)C3CCCCC3
Chemical ID:
7152502
Name [?]:
4-chloro-N,N-dicyclohexyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(c(n1)C(F)(F)F)Cl)C(=O)N(C2CCCCC2)C3CCCCC3
InChi [?]:
InChI=1/C18H25ClF3N3O/c1-24-15(14(19)16(23-24)18(20,21)22)17(26)25(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,24,17,19,23,25,16,20,22,26,15,21,4,3,5,12,7,11,8,9,10,6,2,14,13/E:(2,3)(4,5,6,7)(8,9,10,11)(12,13)(20,21,22)/rA:26nCNCCCNCFFFClCONCCCCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s5;s7;s7;s7;s4;s3;d12;s12;s14;s15;s16;s17;s18;s15s19;s14;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H25ClF3N3O
All Atoms:51
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.3719
Area:510.322
Solvation:-2.38614
Coulombic:-43.1454
Bond Count [?]
All:28
Single:25
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:391.859
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.2
LogP (Chemaxon):4.2

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue