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Chemical ID: 7211445
Chemical ID:
7211445
Name [?]:
2-ethyl-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-methyl-4-nitro-pyrazole-3-carboxamide
SMILES [?]:
CCn1c(c(c(n1)C)CN(C)C(=O)c2c(cnn2CC)[N+](=O)[O-])C
InChi [?]:
InChI=1/C15H22N6O3/c1-6-19-11(4)12(10(3)17-19)9-18(5)15(22)14-13(21(23)24)8-16-20(14)7-2/h8H,6-7,9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,20,8,24,11,2,19,16,9,6,4,5,15,14,12,17,7,10,3,18,21,13,22,23/E:(23,24)/CRV:21.5/rA:24nCCNCCCNCCNCCOCCCNNCCN+OO-C/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;s9;s10;s10;d12;s12;d14;s15;d16;s14s17;s18;s19;s15;d21;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N6O3 |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.89561 |
Area: | 503.868 |
Solvation: | -8.7011 |
Coulombic: | -36.3647 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 334.374 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.68 |
LogP (Chemaxon): | 0.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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