ethyl 5-methyl-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrazole-3-carboxylate

C12H13N3O4 — CID 11832248

IUPACethyl 5-methyl-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(C(=O)c2cc(C)no2)n1
InChIInChI=1S/C12H13N3O4/c1-4-18-12(17)9-6-8(3)15(13-9)11(16)10-5-7(2)14-19-10/h5-6H,4H2,1-3H3
InChIKeyCFSWRFKEDJAZCN-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.35
Rot. Bonds3

About ethyl 5-methyl-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrazole-3-carboxylate

ethyl 5-methyl-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrazole-3-carboxylate (PubChem CID 11832248) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is ethyl 5-methyl-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrazole-3-carboxylate
PubChem CID11832248
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Nameethyl 5-methyl-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(C(=O)c2cc(C)no2)n1
InChIInChI=1S/C12H13N3O4/c1-4-18-12(17)9-6-8(3)15(13-9)11(16)10-5-7(2)14-19-10/h5-6H,4H2,1-3H3
InChIKeyCFSWRFKEDJAZCN-UHFFFAOYSA-N
XLogP1.35
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate
CID 11287330
carbon dioxide;ethyl 1,5-dimethylpyrazole-3-carboxylate
CID 160757130
ethyl 5-(diethylamino)-1,2-oxazole-3-carboxylate
CID 153446437
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
N-ethyl-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 126989856
(3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 65244680
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate
CID 114203747
ethyl 5-fluoro-1-methylpyrazole-3-carboxylate
CID 155722987
ethyl 4-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 16879786
ethyl 5-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 91872786
ethyl 5-[(3-amino-1,2,4-triazol-1-yl)methyl]-1,2-oxazole-3-carboxylate
CID 46949174
ethyl 5-(formamidocarbamoyl)-1,2-oxazole-3-carboxylate
CID 146220636

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-methyl-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrazole-3-carboxylate (CID 11832248) is ethyl 5-methyl-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(C)n(C(=O)c2cc(C)no2)n1.
What is the InChIKey of ethyl 5-methyl-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrazole-3-carboxylate?
The InChIKey is CFSWRFKEDJAZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-4-18-12(17)9-6-8(3)15(13-9)11(16)10-5-7(2)14-19-10/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 5-methyl-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrazole-3-carboxylate?
ethyl 5-methyl-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrazole-3-carboxylate has a molecular weight of 263.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrazole-3-carboxylate is sourced from PubChem (CID 11832248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).