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Chemical ID: 7210299
Chemical ID:
7210299
Name [?]:
4-chloro-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N,2,5-trimethyl-pyrazole-3-carboxamide
SMILES [?]:
CCn1c(c(c(n1)C)CN(C)C(=O)c2c(c(nn2C)C)Cl)C
InChi [?]:
InChI=1/C15H22ClN5O/c1-7-21-11(4)12(9(2)18-21)8-19(5)15(22)14-13(16)10(3)17-20(14)6/h7-8H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,8,20,22,11,19,2,9,6,16,4,5,15,14,12,21,17,7,10,18,3,13/rA:22nCCNCCCNCCNCCOCCCNNCCClC/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;s9;s10;s10;d12;s12;d14;s15;d16;s14s17;s18;s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22ClN5O |
All Atoms: | 44 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.23449 |
Area: | 494.501 |
Solvation: | -3.12802 |
Coulombic: | -25.1816 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 323.821 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.85 |
LogP (Chemaxon): | 0.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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