Chemical ID: 7154858

c1cc(oc1)C(=O)NCCCn2c(cc(n2)C(F)(F)F)C3CC3
Chemical ID:
7154858
Name [?]:
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-2-carboxamide
SMILES [?]:
c1cc(oc1)C(=O)NCCCn2c(cc(n2)C(F)(F)F)C3CC3
InChi [?]:
InChI=1/C15H16F3N3O2/c16-15(17,18)13-9-11(10-4-5-10)21(20-13)7-2-6-19-14(22)12-3-1-8-23-12/h1,3,8-10H,2,4-7H2,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,10,2,22,23,9,11,5,14,21,13,3,15,6,17,18,19,20,8,16,12,7,4/E:(4,5)(16,17,18)/rA:23nCCCOCCONCCCNCCCNCFFFCCC/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;s10;s11;s12;d13;s14;s12d15;s15;s17;s17;s17;s13;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16F3N3O2
All Atoms:39
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.72164
Area:532.834
Solvation:-3.5992
Coulombic:-53.9417
Bond Count [?]
All:25
Single:20
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:327.302
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.16
LogP (Chemaxon):1.75

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