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Chemical ID: 7211007
Chemical ID:
7211007
Name [?]:
pyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)-methanone
SMILES [?]:
Cc1c(c(n(n1)C)C)C(=O)N2CCCC2
InChi [?]:
InChI=1/C11H17N3O/c1-8-10(9(2)13(3)12-8)11(15)14-6-4-5-7-14/h4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,7,13,14,12,15,2,4,3,9,6,5,11,10/E:(4,5)(6,7)/rA:15nCCCCNNCCCONCCCC/rB:s1;s2;d3;s4;d2s5;s5;s4;s3;d9;s9;s11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N3O |
All Atoms: | 32 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.29936 |
Area: | 385.618 |
Solvation: | -2.3411 |
Coulombic: | -20.0043 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 207.272 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.95 |
LogP (Chemaxon): | -0.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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