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Chemical ID: 7157246
Chemical ID:
7157246
Name [?]:
N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-methyl-3-(3-nitropyrazol-1-yl)-propanamide
SMILES [?]:
CCn1c(c(cn1)CN(C)C(=O)CCn2ccc(n2)[N+](=O)[O-])C
InChi [?]:
InChI=1/C14H20N6O3/c1-4-19-11(2)12(9-15-19)10-17(3)14(21)6-8-18-7-5-13(16-18)20(22)23/h5,7,9H,4,6,8,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,10,2,17,13,16,14,6,8,4,5,18,11,7,19,9,15,3,20,12,21,22/E:(22,23)/CRV:20.5/rA:23nCCNCCCNCNCCOCCNCCCNN+OO-C/rB:s1;s2;s3;d4;s5;s3d6;s5;s8;s9;s9;d11;s11;s13;s14;s15;d16;s17;s15d18;s18;d20;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N6O3 |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.91938 |
Area: | 538.751 |
Solvation: | -9.5494 |
Coulombic: | -37.0885 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 320.347 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.02 |
LogP (Chemaxon): | 0.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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