Chemical ID: 5982316

COc1ccc(cc1)c2cc(n(n2)c3ccc(cc3)Cl)C(=O)NC4CC4
Chemical ID:
5982316
Name [?]:
2-(4-chlorophenyl)-N-cyclopropyl-5-(4-methoxyphenyl)-pyrazole-3-carboxamide
SMILES [?]:
COc1ccc(cc1)c2cc(n(n2)c3ccc(cc3)Cl)C(=O)NC4CC4
InChi [?]:
InChI=1/C20H18ClN3O2/c1-26-17-10-2-13(3-11-17)18-12-19(20(25)22-15-6-7-15)24(23-18)16-8-4-14(21)5-9-16/h2-5,8-12,15H,6-7H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,5,7,16,18,25,26,15,19,4,8,10,6,17,24,14,3,9,11,21,20,23,13,12,22,2/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:26nCOCCCCCCCCCNNCCCCCCClCONCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s12;s14;d15;s16;d17;d14s18;s17;s11;d21;s21;s23;s24;s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18ClN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8565
Area:591.063
Solvation:-3.92008
Coulombic:-35.7724
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:367.829
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.52
LogP (Chemaxon):3.41

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Descriptor Annotations

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