Chemical ID: 7159885

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)c4c(nn(c4C)C)C
Chemical ID:
7159885
Name [?]:
N-[1-(1-adamantyl)propyl]-1,3,5-trimethyl-pyrazole-4-carboxamide
SMILES [?]:
CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)c4c(nn(c4C)C)C
InChi [?]:
InChI=1/C20H31N3O/c1-5-17(21-19(24)18-12(2)22-23(4)13(18)3)20-9-14-6-15(10-20)8-16(7-14)11-20/h14-17H,5-11H2,1-4H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,24,22,23,2,7,10,12,9,5,13,18,21,8,6,11,3,17,15,4,14,19,20,16/E:(6,7,8)(9,10,11)(14,15,16)/rA:24cCCCCCCCCCCCCCNCOCCNNCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s8;s10;s6s11;s4s11;s3;s14;d15;s15;s17;d18;s19;d17s20;s21;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H31N3O
All Atoms:55
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.6721
Area:511.508
Solvation:-2.11558
Coulombic:-26.5263
Bond Count [?]
All:27
Single:24
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:329.48
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.8
LogP (Chemaxon):2.67

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