Chemical ID: 4831043

COc1ccccc1c2cc([nH]n2)C(=O)NN
Chemical ID:
4831043
Name [?]:
5-(2-methoxyphenyl)-2H-pyrazole-3-carbohydrazide
SMILES [?]:
COc1ccccc1c2cc([nH]n2)C(=O)NN
InChi [?]:
InChI=1/C11H12N4O2/c1-17-10-5-3-2-4-7(10)8-6-9(15-14-8)11(16)13-12/h2-6H,12H2,1H3,(H,13,16)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,10,8,9,11,3,14,17,16,13,12,15,2/rA:17nCOCCCCCCCCCNNCONN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d9s12;s11;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N4O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.51494
Area:412.776
Solvation:-4.80445
Coulombic:-44.4192
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:232.239
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.99
LogP (Chemaxon):0.61

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Descriptor Annotations

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