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Chemical ID: 4263958
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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