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Chemical ID: 7152990
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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