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Chemical ID: 7151539
Chemical ID:
7151539
Name [?]:
4-iodo-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILES [?]:
Cn1cc(cn1)CN(C)C(=O)c2c(cnn2C)I
InChi [?]:
InChI=1/C11H14IN5O/c1-15(6-8-4-13-16(2)7-8)11(18)10-9(12)5-14-17(10)3/h4-5,7H,6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:9,1,17,5,14,7,3,4,13,12,10,18,6,15,8,2,16,11/rA:18nCNCCCNCNCCOCCCNNCI/rB:s1;s2;d3;s4;s2d5;s4;s7;s8;s8;d10;s10;d12;s13;d14;s12s15;s16;s13;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14IN5O |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.70123 |
Area: | 448.754 |
Solvation: | -3.51762 |
Coulombic: | -24.0657 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 359.166 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.35 |
LogP (Chemaxon): | 0.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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