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Chemical ID: 4719027
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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