Chemical ID: 7153090

C1CCC(C1)NC(=O)Cn2c(c(c(n2)C(F)(F)F)Cl)C3CC3
Chemical ID:
7153090
Name [?]:
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclopentyl-acetamide
SMILES [?]:
C1CCC(C1)NC(=O)Cn2c(c(c(n2)C(F)(F)F)Cl)C3CC3
InChi [?]:
InChI=1/C14H17ClF3N3O/c15-11-12(8-5-6-8)21(20-13(11)14(16,17)18)7-10(22)19-9-3-1-2-4-9/h8-9H,1-7H2,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,21,22,9,20,4,7,12,11,13,15,19,16,17,18,6,14,10,8/E:(1,2)(3,4)(5,6)(16,17,18)/rA:22nCCCCCNCOCNCCCNCFFFClCCC/rB:s1;s2;s3;s1s4;s4;s6;d7;s7;s9;s10;d11;s12;s10d13;s13;s15;s15;s15;s12;s11;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17ClF3N3O
All Atoms:39
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.35537
Area:497.8
Solvation:-3.08964
Coulombic:-45.1473
Bond Count [?]
All:24
Single:21
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.752
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.85
LogP (Chemaxon):2.61

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