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Chemical ID: 5982533
Chemical ID:
5982533
Name [?]:
N-(1,2-dimethylpropyl)-5-(3-methoxyphenyl)-2-(p-tolyl)pyrazole-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)n2c(cc(n2)c3cccc(c3)OC)C(=O)NC(C)C(C)C
InChi [?]:
InChI=1/C23H27N3O2/c1-15(2)17(4)24-23(27)22-14-21(18-7-6-8-20(13-18)28-5)25-26(22)19-11-9-16(3)10-12-19/h6-15,17H,1-5H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:27,28,1,25,20,15,14,16,3,7,4,6,18,10,26,2,24,13,5,17,11,9,21,23,12,8,22,19/E:(1,2)(9,10)(11,12)/rA:28cCCCCCCCNCCCNCCCCCCOCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s9;d21;s21;s23;s24;s24;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4901 |
Area: | 624.364 |
Solvation: | -4.119 |
Coulombic: | -36.2468 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 377.479 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.33 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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