Chemical ID: 4719027

Cn1c(c(c(n1)C(F)(F)F)CN)N2CCOCC2
Chemical ID:
4719027
Name [?]:
[1-methyl-5-morpholino-3-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILES [?]:
Cn1c(c(c(n1)C(F)(F)F)CN)N2CCOCC2
InChi [?]:
InChI=1/C10H15F3N4O/c1-16-9(17-2-4-18-5-3-17)7(6-14)8(15-16)10(11,12)13/h2-6,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,18,15,17,11,4,5,3,7,8,9,10,12,6,2,13,16/E:(2,3)(4,5)(11,12,13)/rA:18nCNCCCNCFFFCNNCCOCC/rB:s1;s2;d3;s4;s2d5;s5;s7;s7;s7;s4;s11;s3;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H15F3N4O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.21277
Area:391.437
Solvation:-3.57317
Coulombic:-50.372
Bond Count [?]
All:19
Single:17
Double:2
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:264.248
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.78
LogP (Chemaxon):0.58

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Descriptor Annotations

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