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Chemical ID: 7169546
Chemical ID:
7169546
Name [?]:
N-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propanamide
SMILES [?]:
Cc1c(cn(n1)CCCNC(=O)CCn2c(c(c(n2)C(F)(F)F)Cl)C)Cl
InChi [?]:
InChI=1/C15H18Cl2F3N5O/c1-9-11(16)8-24(22-9)6-3-5-21-12(26)4-7-25-10(2)13(17)14(23-25)15(18,19)20/h8H,3-7H2,1-2H3,(H,21,26)
InChi Info:
AuxInfo=1/1/N:1,25,8,13,9,7,14,4,2,16,3,11,17,18,20,26,24,21,22,23,10,6,19,5,15,12/E:(18,19,20)/rA:26nCCCCNNCCCNCOCCNCCCNCFFFClCCl/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;s15d18;s18;s20;s20;s20;s17;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18Cl2F3N5O |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7829 |
Area: | 626.233 |
Solvation: | -3.87292 |
Coulombic: | -47.7609 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 412.237 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.98 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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