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Chemical ID: 7154858
Chemical ID:
7154858
Name [?]:
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-2-carboxamide
SMILES [?]:
c1cc(oc1)C(=O)NCCCn2c(cc(n2)C(F)(F)F)C3CC3
InChi [?]:
InChI=1/C15H16F3N3O2/c16-15(17,18)13-9-11(10-4-5-10)21(20-13)7-2-6-19-14(22)12-3-1-8-23-12/h1,3,8-10H,2,4-7H2,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,10,2,22,23,9,11,5,14,21,13,3,15,6,17,18,19,20,8,16,12,7,4/E:(4,5)(16,17,18)/rA:23nCCCOCCONCCCNCCCNCFFFCCC/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;s10;s11;s12;d13;s14;s12d15;s15;s17;s17;s17;s13;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16F3N3O2 |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.72164 |
Area: | 532.834 |
Solvation: | -3.5992 |
Coulombic: | -53.9417 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 327.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.16 |
LogP (Chemaxon): | 1.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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