Chemical ID: 5863825

Cc1ccc(cc1)c2c(cn[nH]2)CNCc3ccccc3
Chemical ID:
5863825
Name [?]:
N-benzyl-1-[3-(p-tolyl)-2H-pyrazol-4-yl]-methanamine
SMILES [?]:
Cc1ccc(cc1)c2c(cn[nH]2)CNCc3ccccc3
InChi [?]:
InChI=1/C18H19N3/c1-14-7-9-16(10-8-14)18-17(13-20-21-18)12-19-11-15-5-3-2-4-6-15/h2-10,13,19H,11-12H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,17,21,3,7,4,6,15,13,10,2,16,5,9,8,14,11,12/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCCCCCCCCCCNNCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s9;s13;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.79887
Area:496.642
Solvation:-2.61718
Coulombic:-20.5709
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:277.364
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.32
LogP (Chemaxon):3.59

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Descriptor Annotations

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