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Chemical ID: 7149150
Chemical ID:
7149150
Name [?]:
N'-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propanehydrazide
SMILES [?]:
Cc1cc(nn1CCC(=O)NNC(=O)CCn2c(c(c(n2)C)[N+](=O)[O-])C)C(F)(F)F
InChi [?]:
InChI=1/C16H20F3N7O4/c1-9-8-12(16(17,18)19)23-24(9)6-4-13(27)20-21-14(28)5-7-25-11(3)15(26(29)30)10(2)22-25/h8H,4-7H2,1-3H3,(H,20,27)(H,21,28)
InChi Info:
AuxInfo=1/1/N:1,22,26,8,15,7,16,3,2,20,18,4,9,13,19,27,28,29,30,11,12,21,5,6,17,23,10,14,24,25/E:(17,18,19)(29,30)/CRV:26.5/rA:30nCCCCNNCCCONNCOCCNCCCNCN+OO-CCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;d18;s19;s17d20;s20;s19;d23;s23;s18;s4;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20F3N7O4 |
All Atoms: | 50 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.78772 |
Area: | 669.564 |
Solvation: | -9.95139 |
Coulombic: | -73.5137 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 431.37 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.58 |
LogP (Chemaxon): | 0.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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