Chemical ID: 7155005

Cn1c(c(c(n1)C(=O)NCCCN(C)C)Cl)C(F)(F)F
Chemical ID:
7155005
Name [?]:
4-chloro-N-(3-dimethylaminopropyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
Cn1c(c(c(n1)C(=O)NCCCN(C)C)Cl)C(F)(F)F
InChi [?]:
InChI=1/C11H16ClF3N4O/c1-18(2)6-4-5-16-10(20)8-7(12)9(11(13,14)15)19(3)17-8/h4-6H2,1-3H3,(H,16,20)
InChi Info:
AuxInfo=1/1/N:14,15,1,11,10,12,4,5,3,7,17,16,18,19,20,9,6,13,2,8/E:(1,2)(13,14,15)/rA:20nCNCCCNCONCCCNCCClCFFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;s11;s12;s13;s13;s4;s3;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16ClF3N4O
All Atoms:36
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.21935
Area:483.372
Solvation:-2.86494
Coulombic:-50.7451
Bond Count [?]
All:20
Single:17
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:312.719
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.61
LogP (Chemaxon):0.09

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