Chemical ID: 7171079

CCC(c1ccccc1)NC(=O)c2ccnn2C(F)F
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

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