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Chemical ID: 7159705
Chemical ID:
7159705
Name [?]:
(4-chloro-2-methyl-pyrazol-3-yl)-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-methanone
SMILES [?]:
Cc1c(cnn1C)CN2CCN(CC2)C(=O)c3c(cnn3C)Cl
InChi [?]:
InChI=1/C15H21ClN6O/c1-11-12(8-17-19(11)2)10-21-4-6-22(7-5-21)15(23)14-13(16)9-18-20(14)3/h8-9H,4-7,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,22,10,14,11,13,4,19,8,2,3,18,17,15,23,5,20,6,21,9,12,16/E:(4,5)(6,7)/rA:23nCCCCNNCCNCCNCCCOCCCNNCCl/rB:s1;d2;s3;d4;s2s5;s6;s3;s8;s9;s10;s11;s12;s9s13;s12;d15;s15;d17;s18;d19;s17s20;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21ClN6O |
All Atoms: | 44 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16617 |
Area: | 530.456 |
Solvation: | -4.09523 |
Coulombic: | -28.8888 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 336.82 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.78 |
LogP (Chemaxon): | -0.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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