Chemical ID: 7169481

Cc1c(cn(n1)CCCNC(=O)CCn2c(c(cn2)[N+](=O)[O-])C)Br
Chemical ID:
7169481
Name [?]:
N-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-3-(5-methyl-4-nitro-pyrazol-1-yl)-propanamide
SMILES [?]:
Cc1c(cn(n1)CCCNC(=O)CCn2c(c(cn2)[N+](=O)[O-])C)Br
InChi [?]:
InChI=1/C14H19BrN6O3/c1-10-12(15)9-19(18-10)6-3-5-16-14(22)4-7-20-11(2)13(8-17-20)21(23)24/h8-9H,3-7H2,1-2H3,(H,16,22)
InChi Info:
AuxInfo=1/1/N:1,23,8,13,9,7,14,18,4,2,16,3,17,11,24,10,19,6,5,15,20,12,21,22/E:(23,24)/CRV:21.5/rA:24nCCCCNNCCCNCOCCNCCCNN+OO-CBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;s15d18;s17;d20;s20;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19BrN6O3
All Atoms:43
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.54414
Area:595.386
Solvation:-8.34052
Coulombic:-40.2822
Bond Count [?]
All:25
Single:19
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:399.243
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.86
LogP (Chemaxon):0.55

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