Chemical ID: 7967963

Cn1c(cc(n1)c2ccc(cc2)Br)C(=O)NN
Chemical ID:
7967963
Name [?]:
5-(4-bromophenyl)-2-methyl-pyrazole-3-carbohydrazide
SMILES [?]:
Cn1c(cc(n1)c2ccc(cc2)Br)C(=O)NN
InChi [?]:
InChI=1/C11H11BrN4O/c1-16-10(11(17)14-13)6-9(15-16)7-2-4-8(12)5-3-7/h2-6H,13H2,1H3,(H,14,17)
InChi Info:
AuxInfo=1/1/N:1,8,12,9,11,4,7,10,5,3,14,13,17,16,6,2,15/E:(2,3)(4,5)/rA:17nCNCCCNCCCCCCBrCONN/rB:s1;s2;d3;s4;s2d5;s5;s7;d8;s9;d10;d7s11;s10;s3;d14;s14;s16;/rC:-.0499,1.4596,.0134;-.0089,-.0048,.0031;-.0868,-.7845,-1.1166;-.0102,-2.0955,-.6867;.1132,-2.0207,.7127;.1112,-.7468,1.0443;.2302,-3.1696,1.6455;.2296,-4.4727,1.1527;.3391,-5.5375,2.0238;.4494,-5.3124,3.385;.4501,-4.0197,3.8795;.3468,-2.9481,3.0159;.5991,-6.7759,4.5731;-.225,-.3196,-2.5063;-.1757,.8694,-2.7575;-.4061,-1.2114,-3.5004;-.4292,-.7905,-4.7998;

Chemical Details

Atom Count
Formula:C9H12O4
All Atoms:28
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.45897
Area:427.516
Solvation:-3.22894
Coulombic:-33.3418
Bond Count [?]
All:29
Single:23
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:295.135
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.67
LogP (Chemaxon):1.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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