Chemical ID: 7166272

c1cnn(c1C(=O)Nc2cnn(c2)CC(F)(F)F)C(F)F
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

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Descriptor Annotations

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