Chemical ID: 5257273

CC(=O)Nc1c(cn[nH]1)C#N
Chemical ID:
5257273
Name [?]:
N-(4-cyano-2H-pyrazol-3-yl)acetamide
SMILES [?]:
CC(=O)Nc1c(cn[nH]1)C#N
InChi [?]:
InChI=1/C6H6N4O/c1-4(11)9-6-5(2-7)3-8-10-6/h3H,1H3,(H2,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,10,7,2,6,5,11,8,4,9,3/rA:11nCCONCCCNNCN/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s6;t10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N4O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.15059
Area:317.699
Solvation:-2.79188
Coulombic:-30.6199
Bond Count [?]
All:11
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:150.138
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.61
LogP (Chemaxon):-0.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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