Chemical ID: 6125056

Cc1cc(nc(n1)N)N2C(CC(=N2)c3ccccc3)(C(F)(F)F)O
Chemical ID:
6125056
Name [?]:
2-(2-amino-6-methyl-pyrimidin-4-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILES [?]:
Cc1cc(nc(n1)N)N2C(CC(=N2)c3ccccc3)(C(F)(F)F)O
InChi [?]:
InChI=1/C15H14F3N5O/c1-9-7-12(21-13(19)20-9)23-14(24,15(16,17)18)8-11(22-23)10-5-3-2-4-6-10/h2-7,24H,8H2,1H3,(H2,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,3,11,2,14,12,4,6,10,20,21,22,23,8,7,5,13,9,24/E:(3,4)(5,6)(16,17,18)/rA:24cCCCCNCNNNCCCNCCCCCCCFFFO/rB:s1;s2;d3;s4;d5;d2s6;s6;s4;s9;s10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s10;s20;s20;s20;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14F3N5O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.40403
Area:490.846
Solvation:-2.86712
Coulombic:-71.5637
Bond Count [?]
All:26
Single:19
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:337.3
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:3.28
LogP (Chemaxon):3.49

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue