Chemical ID: 5982188

CCCNC(=O)c1cc(nn1c2cccc(c2)Cl)c3ccc(cc3)F
Chemical ID:
5982188
Name [?]:
2-(3-chlorophenyl)-5-(4-fluorophenyl)-N-propyl-pyrazole-3-carboxamide
SMILES [?]:
CCCNC(=O)c1cc(nn1c2cccc(c2)Cl)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H17ClFN3O/c1-2-10-22-19(25)18-12-17(13-6-8-15(21)9-7-13)23-24(18)16-5-3-4-14(20)11-16/h3-9,11-12H,2,10H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,13,20,24,21,23,3,17,8,19,16,22,12,9,7,5,18,25,4,10,11,6/E:(6,7)(8,9)/rA:25nCCCNCOCCCNNCCCCCCClCCCCCCF/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;d12s16;s16;s9;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClFN3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.8649
Area:573.23
Solvation:-3.46581
Coulombic:-32.9971
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:357.809
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.0
LogP (Chemaxon):4.22

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