Chemical ID: 5004766

CCOC(=O)c1cc([nH]n1)C
Chemical ID:
5004766
Name [?]:
ethyl 5-methyl-1H-pyrazole-3-carboxylate
SMILES [?]:
CCOC(=O)c1cc([nH]n1)C
InChi [?]:
InChI=1/C7H10N2O2/c1-3-11-7(10)6-4-5(2)8-9-6/h4H,3H2,1-2H3,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,11,2,7,8,6,4,9,10,5,3/rA:11nCCOCOCCCNNC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10N2O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.15295
Area:328.94
Solvation:-2.07055
Coulombic:-29.3589
Bond Count [?]
All:11
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:154.167
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.31
LogP (Chemaxon):0.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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