Chemical ID: 7211007

Cc1c(c(n(n1)C)C)C(=O)N2CCCC2
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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