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Chemical ID: 7166272
Chemical ID:
7166272
Name [?]:
2-(difluoromethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-pyrazole-3-carboxamide
SMILES [?]:
c1cnn(c1C(=O)Nc2cnn(c2)CC(F)(F)F)C(F)F
InChi [?]:
InChI=1/C10H8F5N5O/c11-9(12)20-7(1-2-16-20)8(21)18-6-3-17-19(4-6)5-10(13,14)15/h1-4,9H,5H2,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,10,13,14,9,5,6,19,15,20,21,16,17,18,3,11,8,12,4,7/E:(11,12)(13,14,15)/rA:21nCCNNCCONCCNNCCCFFFCFF/rB:s1;d2;s3;d1s4;s5;d6;s6;s8;s9;d10;s11;d9s12;s12;s14;s15;s15;s15;s4;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8F5N5O |
All Atoms: | 29 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.92474 |
Area: | 435.195 |
Solvation: | -6.95512 |
Coulombic: | -55.6421 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 309.196 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.62 |
LogP (Chemaxon): | 1.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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