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Chemical ID: 5982316
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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