Chemical ID: 5981931

Cc1ccc(cc1C)c2cc(n(n2)c3ccc(cc3)F)C(=O)NCCN(C)C
Chemical ID:
5981931
Name [?]:
N-(2-dimethylaminoethyl)-5-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(cc1C)c2cc(n(n2)c3ccc(cc3)F)C(=O)NCCN(C)C
InChi [?]:
InChI=1/C22H25FN4O/c1-15-5-6-17(13-16(15)2)20-14-21(22(28)24-11-12-26(3)4)27(25-20)19-9-7-18(23)8-10-19/h5-10,13-14H,11-12H2,1-4H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,8,27,28,3,4,16,18,15,19,24,25,6,10,2,7,5,17,14,9,11,21,20,23,13,26,12,22/E:(3,4)(7,8)(9,10)/rA:28nCCCCCCCCCCCNNCCCCCCFCONCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d9s12;s12;s14;d15;s16;d17;d14s18;s17;s11;d21;s21;s23;s24;s25;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25FN4O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.5641
Area:620.773
Solvation:-3.9552
Coulombic:-36.8556
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:380.459
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.33
LogP (Chemaxon):3.8

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Descriptor Annotations

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