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Chemical ID: 7152963
Chemical ID:
7152963
Name [?]:
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholino-propanamide
SMILES [?]:
CC(C(=O)NN1CCOCC1)n2c(c(c(n2)C(F)(F)F)Cl)C3CC3
InChi [?]:
InChI=1/C14H18ClF3N4O2/c1-8(13(23)20-21-4-6-24-7-5-21)22-11(9-2-3-9)10(15)12(19-22)14(16,17)18/h8-9H,2-7H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,23,24,7,11,8,10,2,22,14,13,15,3,17,21,18,19,20,16,5,6,12,4,9/E:(2,3)(4,5)(6,7)(16,17,18)/rA:24cCCCONNCCOCCNCCCNCFFFClCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s6s10;s2;s12;d13;s14;s12d15;s15;s17;s17;s17;s14;s13;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18ClF3N4O2 |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.62713 |
Area: | 525.518 |
Solvation: | -5.51081 |
Coulombic: | -50.8711 |
Bond Count [?]
All: | 26 |
Single: | 23 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 366.766 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.5 |
LogP (Chemaxon): | 1.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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