Chemical ID: 4692651

Cn1cc(c(n1)C(F)(F)F)C(=O)N2CCN(CC2)c3ccccc3F
Chemical ID:
4692651
Name [?]:
[4-(2-fluorophenyl)piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-methanone
SMILES [?]:
Cn1cc(c(n1)C(F)(F)F)C(=O)N2CCN(CC2)c3ccccc3F
InChi [?]:
InChI=1/C16H16F4N4O/c1-22-10-11(14(21-22)16(18,19)20)15(25)24-8-6-23(7-9-24)13-5-3-2-4-12(13)17/h2-5,10H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,21,23,20,15,17,14,18,3,4,24,19,5,11,7,25,8,9,10,6,2,16,13,12/E:(6,7)(8,9)(18,19,20)/rA:25nCNCCCNCFFFCONCCNCCCCCCCCF/rB:s1;s2;d3;s4;s2d5;s5;s7;s7;s7;s4;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16F4N4O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.72408
Area:506.3
Solvation:-4.93343
Coulombic:-50.1442
Bond Count [?]
All:27
Single:21
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.318
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.88
LogP (Chemaxon):2.84

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Descriptor Annotations

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