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Chemical ID: 7171079
Chemical ID:
7171079
Name [?]:
2-(difluoromethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide
SMILES [?]:
CCC(c1ccccc1)NC(=O)c2ccnn2C(F)F
InChi [?]:
InChI=1/C14H15F2N3O/c1-2-11(10-6-4-3-5-7-10)18-13(20)12-8-9-17-19(12)14(15)16/h3-9,11,14H,2H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,9,14,15,4,3,13,11,18,19,20,16,10,17,12/E:(4,5)(6,7)(15,16)/rA:20cCCCCCCCCCNCOCCCNNCFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s10;d11;s11;d13;s14;d15;s13s16;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15F2N3O |
All Atoms: | 35 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.83871 |
Area: | 449.423 |
Solvation: | -4.39687 |
Coulombic: | -38.2697 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 279.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.32 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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