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Chemical ID: 7211607
Chemical ID:
7211607
Name [?]:
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,2-trimethylpropyl)propanamide
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)NC(C)C(C)(C)C)C(F)(F)F)Cl
InChi [?]:
InChI=1/C14H21ClF3N3O/c1-7-10(15)11(14(16,17)18)20-21(7)8(2)12(22)19-9(3)13(4,5)6/h8-9H,1-6H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,8,13,15,16,17,2,7,12,3,4,9,14,18,22,19,20,21,11,5,6,10/E:(4,5,6)(16,17,18)/rA:22cCCCCNNCCCONCCCCCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s12;s14;s14;s14;s4;s18;s18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21ClF3N3O |
All Atoms: | 43 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.58715 |
Area: | 510.798 |
Solvation: | -3.1828 |
Coulombic: | -45.621 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 339.784 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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