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Chemical ID: 7169750
Chemical ID:
7169750
Name [?]:
3-(5-methyl-4-nitro-pyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
SMILES [?]:
Cc1ccnn1CCCNC(=O)CCn2c(c(cn2)[N+](=O)[O-])C
InChi [?]:
InChI=1/C14H20N6O3/c1-11-4-7-16-18(11)8-3-6-15-14(21)5-9-19-12(2)13(10-17-19)20(22)23/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,15,21)
InChi Info:
AuxInfo=1/1/N:1,23,8,3,13,9,4,7,14,18,2,16,17,11,10,5,19,6,15,20,12,21,22/E:(22,23)/CRV:20.5/rA:23nCCCCNNCCCNCOCCNCCCNN+OO-C/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;s15d18;s17;d20;s20;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N6O3 |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.33001 |
Area: | 563.233 |
Solvation: | -8.75081 |
Coulombic: | -39.3988 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 320.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.24 |
LogP (Chemaxon): | -0.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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