Chemical ID: 5981561

CCCN(CCC)C(=O)c1cc(nn1c2cc(ccc2C)C)c3ccccc3
Chemical ID:
5981561
Name [?]:
2-(2,5-dimethylphenyl)-5-phenyl-N,N-dipropyl-pyrazole-3-carboxamide
SMILES [?]:
CCCN(CCC)C(=O)c1cc(nn1c2cc(ccc2C)C)c3ccccc3
InChi [?]:
InChI=1/C24H29N3O/c1-5-14-26(15-6-2)24(28)23-17-21(20-10-8-7-9-11-20)25-27(23)22-16-18(3)12-13-19(22)4/h7-13,16-17H,5-6,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,7,22,21,2,6,26,25,27,24,28,18,19,3,5,16,11,17,20,23,12,15,10,8,13,4,14,9/E:(1,2)(5,6)(8,9)(10,11)(14,15)/rA:28nCCCNCCCCOCCCNNCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s20;s17;s12;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29N3O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.4542
Area:601.423
Solvation:-2.58138
Coulombic:-25.822
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:375.507
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.81
LogP (Chemaxon):5.55

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Descriptor Annotations

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