Chemical ID: 7156093

C1CCC(CC1)NC(=O)CCn2c(c(c(n2)C(F)(F)F)Cl)C3CC3
Chemical ID:
7156093
Name [?]:
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-propanamide
SMILES [?]:
C1CCC(CC1)NC(=O)CCn2c(c(c(n2)C(F)(F)F)Cl)C3CC3
InChi [?]:
InChI=1/C16H21ClF3N3O/c17-13-14(10-6-7-10)23(22-15(13)16(18,19)20)9-8-12(24)21-11-4-2-1-3-5-11/h10-11H,1-9H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,23,24,10,11,22,4,8,14,13,15,17,21,18,19,20,7,16,12,9/E:(2,3)(4,5)(6,7)(18,19,20)/rA:24nCCCCCCNCOCCNCCCNCFFFClCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;d8;s8;s10;s11;s12;d13;s14;s12d15;s15;s17;s17;s17;s14;s13;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21ClF3N3O
All Atoms:45
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.9605
Area:543.1
Solvation:-2.617
Coulombic:-45.1393
Bond Count [?]
All:26
Single:23
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:363.805
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.58
LogP (Chemaxon):3.19

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