Chemical ID: 4263958

CCOC(=O)c1cn[nH]c1N
Chemical ID:
4263958
Name [?]:
ethyl 3-amino-2H-pyrazole-4-carboxylate
SMILES [?]:
CCOC(=O)c1cn[nH]c1N
InChi [?]:
InChI=1/C6H9N3O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H3,7,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,10,4,11,8,9,5,3/rA:11nCCOCOCCNNCN/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H9N3O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.98259
Area:320.706
Solvation:-2.03505
Coulombic:-44.7228
Bond Count [?]
All:11
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:155.155
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.17
LogP (Chemaxon):0.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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