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Chemical ID: 7212863
Chemical ID:
7212863
Name [?]:
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl)-acetamide
SMILES [?]:
CC[NH+]1CCC(CC1)NC(=O)Cn2c(c(c(n2)C(F)(F)F)Cl)C3CC3
InChi [?]:
InChI=1/C16H22ClF3N4O/c1-2-23-7-5-11(6-8-23)21-12(25)9-24-14(10-3-4-10)13(17)15(22-24)16(18,19)20/h10-11H,2-9H2,1H3,(H,21,25)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,24,25,5,7,4,8,12,23,6,10,15,14,16,18,22,19,20,21,9,17,3,13,11/E:(3,4)(5,6)(7,8)(18,19,20)/rA:25nCCN+CCCCCNCOCNCCCNCFFFClCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;d10;s10;s12;s13;d14;s15;s13d16;s16;s18;s18;s18;s15;s14;s23;s23s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23ClF3N4O+ |
All Atoms: | 48 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -19.6657 |
Area: | 555.264 |
Solvation: | -33.5473 |
Coulombic: | -14.3746 |
Bond Count [?]
All: | 27 |
Single: | 24 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 379.828 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.41 |
LogP (Chemaxon): | 1.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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