Chemical ID: 5991735

Cc1ccc(o1)c2cc(n(n2)c3ccc(cc3)OC)C(=O)NC(C)C(C)C
Chemical ID:
5991735
Name [?]:
N-(1,2-dimethylpropyl)-2-(4-methoxyphenyl)-5-(5-methyl-2-furyl)-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(o1)c2cc(n(n2)c3ccc(cc3)OC)C(=O)NC(C)C(C)C
InChi [?]:
InChI=1/C21H25N3O3/c1-13(2)15(4)22-21(25)19-12-18(20-11-6-14(3)27-20)23-24(19)16-7-9-17(26-5)10-8-16/h6-13,15H,1-5H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:26,27,1,24,19,3,13,17,14,16,4,8,25,2,23,12,15,7,9,5,20,22,11,10,21,18,6/E:(1,2)(7,8)(9,10)/rA:27cCCCCCOCCCNNCCCCCCOCCONCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s18;s9;d20;s20;s22;s23;s23;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.0435
Area:606.644
Solvation:-4.12256
Coulombic:-42.8708
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:367.442
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.83
LogP (Chemaxon):3.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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