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Chemical ID: 7169586
Chemical ID:
7169586
Name [?]:
N-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(5-methyl-4-nitro-pyrazol-1-yl)-propanamide
SMILES [?]:
Cc1c(c(n(n1)CCCNC(=O)CCn2c(c(cn2)[N+](=O)[O-])C)C)Cl
InChi [?]:
InChI=1/C15H21ClN6O3/c1-10-15(16)12(3)21(19-10)7-4-6-17-14(23)5-8-20-11(2)13(9-18-20)22(24)25/h9H,4-8H2,1-3H3,(H,17,23)
InChi Info:
AuxInfo=1/1/N:1,23,24,8,13,9,7,14,18,2,16,4,17,11,3,25,10,19,6,15,5,20,12,21,22/E:(24,25)/CRV:22.5/rA:25nCCCCNNCCCNCOCCNCCCNN+OO-CCCl/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;s15d18;s17;d20;s20;s16;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21ClN6O3 |
All Atoms: | 46 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.13611 |
Area: | 616.383 |
Solvation: | -8.27348 |
Coulombic: | -40.8744 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 368.819 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.92 |
LogP (Chemaxon): | 0.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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