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Chemical ID: 7158805
Chemical ID:
7158805
Name [?]:
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2,2-trimethylpropyl)acetamide
SMILES [?]:
CC(C(C)(C)C)NC(=O)Cn1c(cc(n1)C(F)(F)F)C2CC2
InChi [?]:
InChI=1/C15H22F3N3O/c1-9(14(2,3)4)19-13(22)8-21-11(10-5-6-10)7-12(20-21)15(16,17)18/h7,9-10H,5-6,8H2,1-4H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,4,5,6,21,22,13,10,2,20,12,14,8,3,16,17,18,19,7,15,11,9/E:(2,3,4)(5,6)(16,17,18)/rA:22cCCCCCCNCOCNCCCNCFFFCCC/rB:s1;s2;s3;s3;s3;s2;s7;d8;s8;s10;s11;d12;s13;s11d14;s14;s16;s16;s16;s12;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22F3N3O |
All Atoms: | 44 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.28154 |
Area: | 507.591 |
Solvation: | -3.40825 |
Coulombic: | -45.1113 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 317.35 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.99 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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