Chemical ID: 5985897

CCCN(CCC)C(=O)c1cc(nn1c2ccccc2)c3ccc(cc3OC)OC
Chemical ID:
5985897
Name [?]:
5-(2,4-dimethoxyphenyl)-2-phenyl-N,N-dipropyl-pyrazole-3-carboxamide
SMILES [?]:
CCCN(CCC)C(=O)c1cc(nn1c2ccccc2)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C24H29N3O3/c1-5-14-26(15-6-2)24(28)22-17-21(25-27(22)18-10-8-7-9-11-18)20-13-12-19(29-3)16-23(20)30-4/h7-13,16-17H,5-6,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,7,30,28,2,6,18,17,19,16,20,23,22,3,5,25,11,15,24,21,12,10,26,8,13,4,14,9,29,27/E:(1,2)(5,6)(8,9)(10,11)(14,15)/rA:30nCCCNCCCCOCCCNNCCCCCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s12;s21;d22;s23;d24;d21s25;s26;s27;s24;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29N3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.0442
Area:630.806
Solvation:-5.72596
Coulombic:-37.9762
Bond Count [?]
All:32
Single:23
Double:9
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:407.505
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.97
LogP (Chemaxon):4.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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