Chemical ID: 4760779

CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Cl
Chemical ID:
4760779
Name [?]:
3-(4-chlorophenyl)-1-(2-methyl-5-tert-butyl-pyrazol-3-yl)-urea
SMILES [?]:
CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H19ClN4O/c1-15(2,3)12-9-13(20(4)19-12)18-14(21)17-11-7-5-10(16)6-8-11/h5-9H,1-4H3,(H2,17,18,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,17,19,16,20,6,18,15,5,7,12,2,21,14,11,9,8,13/E:(1,2,3)(5,6)(7,8)/rA:21nCCCCCCCNNCNCONCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s7;d5s8;s8;s7;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19ClN4O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.4616
Area:517.247
Solvation:-2.46958
Coulombic:-39.559
Bond Count [?]
All:22
Single:16
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:306.79
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.06
LogP (Chemaxon):3.62

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