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Chemical ID: 7211529
Chemical ID:
7211529
Name [?]:
2-(4-bromo-5-methyl-pyrazol-1-yl)-1-pyrrolidin-1-yl-ethanone
SMILES [?]:
Cc1c(cnn1CC(=O)N2CCCC2)Br
InChi [?]:
InChI=1/C10H14BrN3O/c1-8-9(11)6-12-14(8)7-10(15)13-4-2-3-5-13/h6H,2-5,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,14,4,7,2,3,8,15,5,10,6,9/E:(2,3)(4,5)/rA:15nCCCCNNCCONCCCCBr/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s10s13;s3;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14BrN3O |
All Atoms: | 29 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.87362 |
Area: | 399.588 |
Solvation: | -3.11608 |
Coulombic: | -19.0577 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 272.142 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.37 |
LogP (Chemaxon): | 0.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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