Chemical ID: 7211587

Cn1cc(cn1)CNC(=O)CCn2c(c(c(n2)C(F)(F)F)Br)C3CC3
Chemical ID:
7211587
Name [?]:
3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILES [?]:
Cn1cc(cn1)CNC(=O)CCn2c(c(c(n2)C(F)(F)F)Br)C3CC3
InChi [?]:
InChI=1/C15H17BrF3N5O/c1-23-8-9(7-21-23)6-20-11(25)4-5-24-13(10-2-3-10)12(16)14(22-24)15(17,18)19/h7-8,10H,2-6H2,1H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:1,24,25,11,12,7,5,3,4,23,9,15,14,16,18,22,19,20,21,8,6,17,2,13,10/E:(2,3)(17,18,19)/rA:25nCNCCCNCNCOCCNCCCNCFFFBrCCC/rB:s1;s2;d3;s4;s2d5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s15;s13d16;s16;s18;s18;s18;s15;s14;s23;s23s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17BrF3N5O
All Atoms:42
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0139
Area:567.833
Solvation:-4.18194
Coulombic:-46.4693
Bond Count [?]
All:27
Single:22
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:420.228
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.13
LogP (Chemaxon):1.93

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