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Chemical ID: 7169868
Chemical ID:
7169868
Name [?]:
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(5-methyl-4-nitro-pyrazol-1-yl)-propanamide
SMILES [?]:
Cc1cc(n(n1)CCCNC(=O)CCn2c(c(cn2)[N+](=O)[O-])C)C
InChi [?]:
InChI=1/C15H22N6O3/c1-11-9-12(2)19(18-11)7-4-6-16-15(22)5-8-20-13(3)14(10-17-20)21(23)24/h9-10H,4-8H2,1-3H3,(H,16,22)
InChi Info:
AuxInfo=1/1/N:1,24,23,8,13,9,7,14,3,18,2,4,16,17,11,10,19,6,5,15,20,12,21,22/E:(23,24)/CRV:21.5/rA:24nCCCCNNCCCNCOCCNCCCNN+OO-CC/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;s15d18;s17;d20;s20;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N6O3 |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.0214 |
Area: | 587.1 |
Solvation: | -8.65609 |
Coulombic: | -39.4371 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 334.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.38 |
LogP (Chemaxon): | -0.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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