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Chemical ID: 7153078
Chemical ID:
7153078
Name [?]:
N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N,2,5-trimethyl-4-nitro-pyrazole-3-carboxamide
SMILES [?]:
CCn1c(c(c(n1)C)CN(C)C(=O)c2c(c(nn2C)C)[N+](=O)[O-])C
InChi [?]:
InChI=1/C15H22N6O3/c1-7-20-11(4)12(9(2)17-20)8-18(5)15(22)14-13(21(23)24)10(3)16-19(14)6/h7-8H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,8,20,24,11,19,2,9,6,16,4,5,15,14,12,17,7,10,18,3,21,13,22,23/E:(23,24)/CRV:21.5/rA:24nCCNCCCNCCNCCOCCCNNCCN+OO-C/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;s9;s10;s10;d12;s12;d14;s15;d16;s14s17;s18;s16;s15;d21;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N6O3 |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.15529 |
Area: | 501.641 |
Solvation: | -8.38575 |
Coulombic: | -36.6703 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 334.374 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.4 |
LogP (Chemaxon): | -0.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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