Chemical ID: 5981433

c1ccc(cc1)c2cc(n(n2)c3ccc(cc3)F)C(=O)NCCN4CCCC4
Chemical ID:
5981433
Name [?]:
2-(4-fluorophenyl)-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
SMILES [?]:
c1ccc(cc1)c2cc(n(n2)c3ccc(cc3)F)C(=O)NCCN4CCCC4
InChi [?]:
InChI=1/C22H23FN4O/c23-18-8-10-19(11-9-18)27-21(16-20(25-27)17-6-2-1-3-7-17)22(28)24-12-15-26-13-4-5-14-26/h1-3,6-11,16H,4-5,12-15H2,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,26,27,3,5,14,16,13,17,22,25,28,23,8,4,15,12,7,9,19,18,21,11,24,10,20/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)/rA:28nCCCCCCCCCNNCCCCCCFCONCCNCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;s21;s22;s23;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23FN4O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.2605
Area:607.085
Solvation:-3.91665
Coulombic:-37.3729
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:378.443
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.96
LogP (Chemaxon):3.19

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Descriptor Annotations

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