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Chemical ID: 6465507
Chemical ID:
6465507
Name [?]:
1-[3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl]propan-1-one
SMILES [?]:
CCC(=O)N1C(CC(=N1)c2ccc(cc2Cl)Cl)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H18Cl2N2O2/c1-3-19(24)23-18(12-4-7-14(25-2)8-5-12)11-17(22-23)15-9-6-13(20)10-16(15)21/h4-10,18H,3,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,19,23,12,20,22,11,14,7,18,13,21,10,15,8,6,3,17,16,9,5,4,24/E:(4,5)(7,8)/rA:25cCCCONCCCNCCCCCCClClCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;s7;s5d8;s8;s10;d11;s12;d13;d10s14;s15;s13;s6;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18Cl2N2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4002 |
Area: | 571.44 |
Solvation: | -3.88582 |
Coulombic: | -23.4428 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 377.264 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.16 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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