Chemical ID: 5981784

c1ccc(c(c1)c2cc(n(n2)c3cccc(c3)Cl)C(=O)N4CCCC4)F
Chemical ID:
5981784
Name [?]:
[2-(3-chlorophenyl)-5-(2-fluorophenyl)-pyrazol-3-yl]-pyrrolidin-1-yl-methanone
SMILES [?]:
c1ccc(c(c1)c2cc(n(n2)c3cccc(c3)Cl)C(=O)N4CCCC4)F
InChi [?]:
InChI=1/C20H17ClFN3O/c21-14-6-5-7-15(12-14)25-19(20(26)24-10-3-4-11-24)13-18(23-25)16-8-1-2-9-17(16)22/h1-2,5-9,12-13H,3-4,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,23,24,14,15,13,6,3,22,25,17,8,16,12,5,4,7,9,19,18,26,11,21,10,20/E:(3,4)(10,11)/rA:26nCCCCCCCCCNNCCCCCCClCONCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s16;s9;d19;s19;s21;s22;s23;s21s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17ClFN3O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.81921
Area:554.357
Solvation:-4.03973
Coulombic:-27.5082
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:369.82
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.87
LogP (Chemaxon):3.98

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Descriptor Annotations

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