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Chemical ID: 7211691
Chemical ID:
7211691
Name [?]:
4-chloro-N,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILES [?]:
Cc1c(c(n(n1)C)C)CN(C)C(=O)c2c(cnn2C)Cl
InChi [?]:
InChI=1/C13H18ClN5O/c1-8-10(9(2)18(4)16-8)7-17(3)13(20)12-11(14)6-15-19(12)5/h6H,7H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,11,7,19,16,9,2,4,3,15,14,12,20,17,6,10,5,18,13/rA:20nCCCCNNCCCNCCOCCCNNCCl/rB:s1;s2;d3;s4;d2s5;s5;s4;s3;s9;s10;s10;d12;s12;d14;s15;d16;s14s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18ClN5O |
All Atoms: | 38 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.13301 |
Area: | 461.383 |
Solvation: | -3.40157 |
Coulombic: | -24.5535 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 295.768 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.28 |
LogP (Chemaxon): | -0.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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