Chemical ID: 3940105

CCOc1ccc(cc1)C(C)NC(=O)c2cc(nn2C)C(C)(C)C
Chemical ID:
3940105
Name [?]:
N-[1-(4-ethoxyphenyl)ethyl]-2-methyl-5-tert-butyl-pyrazole-3-carboxamide
SMILES [?]:
CCOc1ccc(cc1)C(C)NC(=O)c2cc(nn2C)C(C)(C)C
InChi [?]:
InChI=1/C19H27N3O2/c1-7-24-15-10-8-14(9-11-15)13(2)20-18(23)16-12-17(19(3,4)5)21-22(16)6/h8-13H,7H2,1-6H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,11,22,23,24,20,2,6,8,5,9,16,10,7,4,15,17,13,21,12,18,19,14,3/E:(3,4,5)(8,9)(10,11)/rA:24cCCOCCCCCCCCNCOCCCNNCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s10;s12;d13;s13;d15;s16;d17;s15s18;s19;s17;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27N3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.5841
Area:572.848
Solvation:-3.73711
Coulombic:-35.1643
Bond Count [?]
All:25
Single:19
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:329.437
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.48
LogP (Chemaxon):3.29

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