Chemical ID: 6729103

COC(=O)c1cn[nH]c1N
Chemical ID:
6729103
Name [?]:
methyl 3-amino-2H-pyrazole-4-carboxylate
SMILES [?]:
COC(=O)c1cn[nH]c1N
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;s5;d6;s7;d5s8;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H7N3O2
All Atoms:17
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.16897
Area:292.291
Solvation:-2.13832
Coulombic:-44.4033
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:141.128
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.75
LogP (Chemaxon):-0.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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