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Chemical ID: 7150464
Chemical ID:
7150464
Name [?]:
N-[1-(4-isopropylphenyl)propyl]-2,5-dimethyl-pyrazole-3-carboxamide
SMILES [?]:
CCC(c1ccc(cc1)C(C)C)NC(=O)c2cc(nn2C)C
InChi [?]:
InChI=1/C18H25N3O/c1-6-16(15-9-7-14(8-10-15)12(2)3)19-18(22)17-11-13(4)20-21(17)5/h7-12,16H,6H2,1-5H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,11,12,22,21,2,6,8,5,9,17,10,18,7,4,3,16,14,13,19,20,15/E:(2,3)(7,8)(9,10)/rA:22cCCCCCCCCCCCCNCOCCCNNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s10;s3;s13;d14;s14;d16;s17;d18;s16s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25N3O |
All Atoms: | 47 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7114 |
Area: | 529.008 |
Solvation: | -2.51384 |
Coulombic: | -28.1911 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 299.411 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.16 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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