Chemical ID: 4736041

CCOC(=O)c1cc(n(n1)C)C
Chemical ID:
4736041
Name [?]:
ethyl 1,5-dimethylpyrazole-3-carboxylate
SMILES [?]:
CCOC(=O)c1cc(n(n1)C)C
InChi [?]:
InChI=1/C8H12N2O2/c1-4-12-8(11)7-5-6(2)10(3)9-7/h5H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,11,2,7,8,6,4,10,9,5,3/rA:12nCCOCOCCCNNCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s9;s8;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12N2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.55398
Area:350.912
Solvation:-2.21883
Coulombic:-24.0509
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:168.193
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.11
LogP (Chemaxon):0.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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