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Chemical ID: 7155988
Chemical ID:
7155988
Name [?]:
1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILES [?]:
Cn1ccc(n1)C(=O)NCc2ccnn2C
InChi [?]:
InChI=1/C10H13N5O/c1-14-6-4-9(13-14)10(16)11-7-8-3-5-12-15(8)2/h3-6H,7H2,1-2H3,(H,11,16)
InChi Info:
AuxInfo=1/1/N:1,16,12,4,13,3,10,11,5,7,9,14,6,2,15,8/rA:16nCNCCCNCONCCCCNNC/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;d11;s12;d13;s11s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N5O |
All Atoms: | 29 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.05605 |
Area: | 415.031 |
Solvation: | -3.31972 |
Coulombic: | -29.1491 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 219.243 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.21 |
LogP (Chemaxon): | -0.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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