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Chemical ID: 7153855
Chemical ID:
7153855
Name [?]:
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-tert-butyl-propanamide
SMILES [?]:
CC(C(=O)NC(C)(C)C)n1c(c(c(n1)C(F)(F)F)Cl)C2CC2
InChi [?]:
InChI=1/C14H19ClF3N3O/c1-7(12(22)19-13(2,3)4)21-10(8-5-6-8)9(15)11(20-21)14(16,17)18/h7-8H,5-6H2,1-4H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,7,8,9,21,22,2,20,12,11,13,3,6,15,19,16,17,18,5,14,10,4/E:(2,3,4)(5,6)(16,17,18)/rA:22cCCCONCCCCNCCCNCFFFClCCC/rB:s1;s2;d3;s3;s5;s6;s6;s6;s2;s10;d11;s12;s10d13;s13;s15;s15;s15;s12;s11;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19ClF3N3O |
All Atoms: | 41 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.36643 |
Area: | 496.135 |
Solvation: | -3.03694 |
Coulombic: | -45.2845 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 337.768 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.42 |
LogP (Chemaxon): | 2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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