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Chemical ID: 7211341
Chemical ID:
7211341
Name [?]:
4-chloro-1-ethyl-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-methyl-pyrazole-3-carboxamide
SMILES [?]:
CCn1cc(c(n1)C(=O)N(C)Cc2c(nn(c2C)CC)C)Cl
InChi [?]:
InChI=1/C15H22ClN5O/c1-6-20-9-13(16)14(18-20)15(22)19(5)8-12-10(3)17-21(7-2)11(12)4/h9H,6-8H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,20,21,18,11,2,19,12,4,14,17,13,5,6,8,22,15,7,10,3,16,9/rA:22nCCNCCCNCONCCCCNNCCCCCCl/rB:s1;s2;s3;d4;s5;s3d6;s6;d8;s8;s10;s10;s12;s13;d14;s15;d13s16;s17;s16;s19;s14;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22ClN5O |
All Atoms: | 44 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.9513 |
Area: | 516.866 |
Solvation: | -2.97034 |
Coulombic: | -26.0223 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 323.821 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.03 |
LogP (Chemaxon): | 1.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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