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Chemical ID: 7154354
Chemical ID:
7154354
Name [?]:
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N,N-diethyl-acetamide
SMILES [?]:
CCN(CC)C(=O)Cn1c(c(c(n1)C(F)(F)F)Cl)C2CC2
InChi [?]:
InChI=1/C13H17ClF3N3O/c1-3-19(4-2)9(21)7-20-11(8-5-6-8)10(14)12(18-20)13(15,16)17/h8H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,20,21,8,19,6,11,10,12,14,18,15,16,17,13,3,9,7/E:(1,2)(3,4)(5,6)(15,16,17)/rA:21nCCNCCCOCNCCCNCFFFClCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;s9d12;s12;s14;s14;s14;s11;s10;s19;s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17ClF3N3O |
All Atoms: | 38 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.98205 |
Area: | 482.738 |
Solvation: | -3.0864 |
Coulombic: | -40.3236 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 323.742 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.58 |
LogP (Chemaxon): | 2.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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