Chemical ID: 7152990

CN1CCN(CC1)NC(=O)Cn2c(cc(n2)C(F)(F)F)C3CC3
Chemical ID:
7152990
Name [?]:
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)-acetamide
SMILES [?]:
CN1CCN(CC1)NC(=O)Cn2c(cc(n2)C(F)(F)F)C3CC3
InChi [?]:
InChI=1/C14H20F3N5O/c1-20-4-6-21(7-5-20)19-13(23)9-22-11(10-2-3-10)8-12(18-22)14(15,16)17/h8,10H,2-7,9H2,1H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,22,23,3,7,4,6,14,11,21,13,15,9,17,18,19,20,16,8,2,5,12,10/E:(2,3)(4,5)(6,7)(15,16,17)/rA:23nCNCCNCCNCOCNCCCNCFFFCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;d13;s14;s12d15;s15;s17;s17;s17;s13;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20F3N5O
All Atoms:43
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.93397
Area:515.73
Solvation:-4.95927
Coulombic:-46.5252
Bond Count [?]
All:25
Single:22
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:331.337
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.48
LogP (Chemaxon):0.58

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Descriptor Annotations

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