ethyl 1-methyl-5-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrazole-4-carboxylate

C11H13N3O3S — CID 116630304

IUPACethyl 1-methyl-5-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1Cn1ccsc1=O
InChIInChI=1S/C11H13N3O3S/c1-3-17-10(15)8-6-12-13(2)9(8)7-14-4-5-18-11(14)16/h4-6H,3,7H2,1-2H3
InChIKeyPFIFXPGRXVMLJH-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.87
Rot. Bonds4

About ethyl 1-methyl-5-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrazole-4-carboxylate

ethyl 1-methyl-5-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrazole-4-carboxylate (PubChem CID 116630304) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is ethyl 1-methyl-5-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrazole-4-carboxylate
PubChem CID116630304
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Nameethyl 1-methyl-5-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1Cn1ccsc1=O
InChIInChI=1S/C11H13N3O3S/c1-3-17-10(15)8-6-12-13(2)9(8)7-14-4-5-18-11(14)16/h4-6H,3,7H2,1-2H3
InChIKeyPFIFXPGRXVMLJH-UHFFFAOYSA-N
XLogP0.87
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-methyl-5-[(2-oxo-3-propylimidazol-1-yl)methyl]pyrazole-4-carboxylate
CID 116630397
ethyl 1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole-4-carboxylate
CID 116630147
ethyl 5-[(2,7-dioxoazepan-1-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116630223
ethyl 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116632169
ethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate
CID 116631787
ethyl 1-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrazole-4-carboxylate
CID 116630254
ethyl 5-[(2-hydroxyethylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116630781
ethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116630256
ethyl 1-methyl-5-[[(3-methylthiophen-2-yl)methylamino]methyl]pyrazole-4-carboxylate
CID 116631380
ethyl 1-methyl-5-[(3-oxopiperazin-1-yl)methyl]pyrazole-4-carboxylate
CID 116631707
ethyl 1-methyl-5-[(5-oxo-1,4-diazepan-1-yl)methyl]pyrazole-4-carboxylate
CID 116632103
ethyl 5-[(3-ethylpentan-3-ylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116631277

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrazole-4-carboxylate (CID 116630304) is ethyl 1-methyl-5-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1Cn1ccsc1=O.
What is the InChIKey of ethyl 1-methyl-5-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrazole-4-carboxylate?
The InChIKey is PFIFXPGRXVMLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-3-17-10(15)8-6-12-13(2)9(8)7-14-4-5-18-11(14)16/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 1-methyl-5-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrazole-4-carboxylate has a molecular weight of 267.31 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 116630304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).