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Chemical ID: 7159577
Chemical ID:
7159577
Name [?]:
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-isopropyl-propanamide
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)NC(C)C)C(F)(F)F)Cl
InChi [?]:
InChI=1/C11H15ClF3N3O/c1-5(2)16-10(19)7(4)18-6(3)8(12)9(17-18)11(13,14)15/h5,7H,1-4H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:13,14,1,8,12,2,7,3,4,9,15,19,16,17,18,11,5,6,10/E:(1,2)(13,14,15)/rA:19cCCCCNNCCCONCCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s12;s4;s15;s15;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15ClF3N3O |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.21649 |
Area: | 456.875 |
Solvation: | -3.20539 |
Coulombic: | -44.6684 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 297.704 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.8 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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