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Chemical ID: 7208837
Chemical ID:
7208837
Name [?]:
1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILES [?]:
Cc1c(cn(n1)C)C(=O)NCc2cnn(c2)C
InChi [?]:
InChI=1/C11H15N5O/c1-8-10(7-16(3)14-8)11(17)12-4-9-5-13-15(2)6-9/h5-7H,4H2,1-3H3,(H,12,17)
InChi Info:
AuxInfo=1/1/N:1,17,7,11,13,16,4,2,12,3,8,10,14,6,15,5,9/rA:17nCCCCNNCCONCCCNNCC/rB:s1;s2;d3;s4;d2s5;s5;s3;d8;s8;s10;s11;s12;d13;s14;d12s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15N5O |
All Atoms: | 32 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.17878 |
Area: | 436.467 |
Solvation: | -3.73289 |
Coulombic: | -27.1318 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 233.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.27 |
LogP (Chemaxon): | -0.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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