Chemical ID: 5982514

CCCNC(=O)c1cc(nn1c2ccc(cc2)C)c3cccc(c3)OC
Chemical ID:
5982514
Name [?]:
5-(3-methoxyphenyl)-N-propyl-2-(p-tolyl)pyrazole-3-carboxamide
SMILES [?]:
CCCNC(=O)c1cc(nn1c2ccc(cc2)C)c3cccc(c3)OC
InChi [?]:
InChI=1/C21H23N3O2/c1-4-12-22-21(25)20-14-19(16-6-5-7-18(13-16)26-3)23-24(20)17-10-8-15(2)9-11-17/h5-11,13-14H,4,12H2,1-3H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,18,26,2,21,20,22,14,16,13,17,3,24,8,15,19,12,23,9,7,5,4,10,11,6,25/E:(8,9)(10,11)/rA:26nCCCNCOCCCNNCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;d12s16;s15;s9;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.6116
Area:592.172
Solvation:-4.1927
Coulombic:-35.805
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:349.426
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.57
LogP (Chemaxon):3.77

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Descriptor Annotations

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