Chemical ID: 5981777

CC(C)NC(=O)c1cc(nn1c2cccc(c2)Cl)c3ccccc3F
Chemical ID:
5981777
Name [?]:
2-(3-chlorophenyl)-5-(2-fluorophenyl)-N-isopropyl-pyrazole-3-carboxamide
SMILES [?]:
CC(C)NC(=O)c1cc(nn1c2cccc(c2)Cl)c3ccccc3F
InChi [?]:
InChI=1/C19H17ClFN3O/c1-12(2)22-19(25)18-11-17(15-8-3-4-9-16(15)21)23-24(18)14-7-5-6-13(20)10-14/h3-12H,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,3,21,22,14,15,13,20,23,17,8,2,16,12,19,24,9,7,5,18,25,4,10,11,6/E:(1,2)/rA:25nCCCNCOCCCNNCCCCCCClCCCCCCF/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;d12s16;s16;s9;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClFN3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0016
Area:556.535
Solvation:-3.91179
Coulombic:-32.296
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:357.809
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.11
LogP (Chemaxon):4.16

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