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Chemical ID: 6041814
Chemical ID:
6041814
Name [?]:
N-ethyl-N-isopropyl-2,5-dimethyl-pyrazole-3-carboxamide
SMILES [?]:
CCN(C(C)C)C(=O)c1cc(nn1C)C
InChi [?]:
InChI=1/C11H19N3O/c1-6-14(8(2)3)11(15)10-7-9(4)12-13(10)5/h7-8H,6H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,5,6,15,14,2,10,4,11,9,7,12,13,3,8/E:(2,3)/rA:15nCCNCCCCOCCCNNCC/rB:s1;s2;s3;s4;s4;s3;d7;s7;d9;s10;d11;s9s12;s13;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H19N3O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.40067 |
Area: | 386.22 |
Solvation: | -2.25484 |
Coulombic: | -21.3917 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 209.288 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.61 |
LogP (Chemaxon): | 0.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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