Chemical ID: 7432229

c1ccc(cc1)n2c(cc(n2)C(F)(F)F)c3ccc(cc3)N
Chemical ID:
7432229
Name [?]:
4-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]aniline
SMILES [?]:
c1ccc(cc1)n2c(cc(n2)C(F)(F)F)c3ccc(cc3)N
InChi [?]:
InChI=1/C16H12F3N3/c17-16(18,19)15-10-14(11-6-8-12(20)9-7-11)22(21-15)13-4-2-1-3-5-13/h1-10H,20H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,17,21,18,20,9,16,19,4,8,10,12,13,14,15,22,11,7/E:(2,3)(4,5)(6,7)(8,9)(17,18,19)/rA:22nCCCCCCNCCCNCFFFCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s10;s12;s12;s12;s8;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12F3N3
All Atoms:34
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.94188
Area:456.738
Solvation:-2.47658
Coulombic:-42.7592
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:303.282
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:4.14
LogP (Chemaxon):3.95

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