Chemical ID: 7154653

CCn1c(c(cn1)[N+](=O)[O-])C(=O)N(C)Cc2cnn(c2C)C
Chemical ID:
7154653
Name [?]:
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-N-methyl-4-nitro-pyrazole-3-carboxamide
SMILES [?]:
CCn1c(c(cn1)[N+](=O)[O-])C(=O)N(C)Cc2cnn(c2C)C
InChi [?]:
InChI=1/C13H18N6O3/c1-5-18-12(11(7-15-18)19(21)22)13(20)16(3)8-10-6-14-17(4)9(10)2/h6-7H,5,8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,14,22,2,17,6,15,20,16,5,4,11,18,7,13,19,3,8,12,9,10/E:(21,22)/CRV:19.5/rA:22nCCNCCCNN+OO-CONCCCCNNCCC/rB:s1;s2;s3;d4;s5;s3d6;s5;d8;s8;s4;d11;s11;s13;s13;s15;s16;d17;s18;d16s19;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N6O3
All Atoms:40
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:2.19996
Area:477.337
Solvation:-9.73346
Coulombic:-34.786
Bond Count [?]
All:23
Single:17
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:306.321
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.11
LogP (Chemaxon):-0.41

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