ChemDB: Chemical Search
Download
Chemical ID: 7169636
Chemical ID:
7169636
Name [?]:
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
SMILES [?]:
Cc1cc(nn1CCCNC(=O)CCn2c(c(c(n2)C(F)(F)F)Cl)C)C(F)(F)F
InChi [?]:
InChI=1/C16H18ClF6N5O/c1-9-8-11(15(18,19)20)25-27(9)6-3-5-24-12(29)4-7-28-10(2)13(17)14(26-28)16(21,22)23/h8H,3-7H2,1-2H3,(H,24,29)
InChi Info:
AuxInfo=1/1/N:1,25,8,13,9,7,14,3,2,16,4,11,17,18,26,20,24,27,28,29,21,22,23,10,5,19,6,15,12/E:(18,19,20)(21,22,23)/rA:29nCCCCNNCCCNCOCCNCCCNCFFFClCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;s15d18;s18;s20;s20;s20;s17;s16;s4;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18ClF6N5O |
All Atoms: | 47 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3543 |
Area: | 637.136 |
Solvation: | -4.57413 |
Coulombic: | -66.7605 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 445.79 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.37 |
LogP (Chemaxon): | 2.73 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|