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Chemical ID: 7152968
Chemical ID:
7152968
Name [?]:
N-allyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-acetamide
SMILES [?]:
C=CCNC(=O)Cn1c(c(c(n1)C(F)(F)F)Cl)C2CC2
InChi [?]:
InChI=1/C12H13ClF3N3O/c1-2-5-17-8(20)6-19-10(7-3-4-7)9(13)11(18-19)12(14,15)16/h2,7H,1,3-6H2,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,2,19,20,3,7,18,5,10,9,11,13,17,14,15,16,4,12,8,6/E:(3,4)(14,15,16)/rA:20nCCCNCOCNCCCNCFFFClCCC/rB:d1;s2;s3;s4;d5;s5;s7;s8;d9;s10;s8d11;s11;s13;s13;s13;s10;s9;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13ClF3N3O |
All Atoms: | 33 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58114 |
Area: | 470.436 |
Solvation: | -3.17978 |
Coulombic: | -46.2103 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 307.699 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.21 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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