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Chemical ID: 7152502
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
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Experimental Annotations
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Descriptor Annotations
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