Chemical ID: 5991733

Cc1ccc(o1)c2cc(n(n2)c3ccc(cc3)OC)C(=O)NCCC(C)C
Chemical ID:
5991733
Name [?]:
N-isopentyl-2-(4-methoxyphenyl)-5-(5-methyl-2-furyl)-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(o1)c2cc(n(n2)c3ccc(cc3)OC)C(=O)NCCC(C)C
InChi [?]:
InChI=1/C21H25N3O3/c1-14(2)11-12-22-21(25)19-13-18(20-10-5-15(3)27-20)23-24(19)16-6-8-17(26-4)9-7-16/h5-10,13-14H,11-12H2,1-4H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:26,27,1,19,3,13,17,14,16,4,24,23,8,25,2,12,15,7,9,5,20,22,11,10,21,18,6/E:(1,2)(6,7)(8,9)/rA:27nCCCCCOCCCNNCCCCCCOCCONCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s18;s9;d20;s20;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.3446
Area:621.266
Solvation:-4.18708
Coulombic:-42.9824
Bond Count [?]
All:29
Single:21
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:367.442
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.15
LogP (Chemaxon):3.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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