Chemical ID: 5125967

COC(=O)c1c[nH][nH]c1=N
Chemical ID:
5125967
Name [?]:
methyl 3-imino-1,2-dihydropyrazole-4-carboxylate
SMILES [?]:
COC(=O)c1c[nH][nH]c1=N
InChi [?]:
InChI=1/C5H7N3O2/c1-10-5(9)3-2-7-8-4(3)6/h2H,1H3,(H3,6,7,8)
InChi Info:
AuxInfo=1/1/N:1,6,5,9,3,10,7,8,4,2/rA:10nCOCOCCNNCN/rB:s1;s2;d3;s3;d5;s6;s7;s5s8;w9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H7N3O2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.7567
Area:293.252
Solvation:-2.5746
Coulombic:-46.6965
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:141.128
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.62
LogP (Chemaxon):-0.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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