ethyl 1-(2-ethoxy-2-oxoethyl)-5-(hydroxymethyl)-3-methylpyrazole-4-carboxylate

C12H18N2O5 — CID 12677008

IUPACethyl 1-(2-ethoxy-2-oxoethyl)-5-(hydroxymethyl)-3-methylpyrazole-4-carboxylate
SMILESCCOC(=O)Cn1nc(C)c(C(=O)OCC)c1CO
InChIInChI=1S/C12H18N2O5/c1-4-18-10(16)6-14-9(7-15)11(8(3)13-14)12(17)19-5-2/h15H,4-7H2,1-3H3
InChIKeyFSZOMMAZTGMPTR-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.42
Rot. Bonds6

About ethyl 1-(2-ethoxy-2-oxoethyl)-5-(hydroxymethyl)-3-methylpyrazole-4-carboxylate

ethyl 1-(2-ethoxy-2-oxoethyl)-5-(hydroxymethyl)-3-methylpyrazole-4-carboxylate (PubChem CID 12677008) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is ethyl 1-(2-ethoxy-2-oxoethyl)-5-(hydroxymethyl)-3-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethoxy-2-oxoethyl)-5-(hydroxymethyl)-3-methylpyrazole-4-carboxylate
PubChem CID12677008
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Nameethyl 1-(2-ethoxy-2-oxoethyl)-5-(hydroxymethyl)-3-methylpyrazole-4-carboxylate
SMILESCCOC(=O)Cn1nc(C)c(C(=O)OCC)c1CO
InChIInChI=1S/C12H18N2O5/c1-4-18-10(16)6-14-9(7-15)11(8(3)13-14)12(17)19-5-2/h15H,4-7H2,1-3H3
InChIKeyFSZOMMAZTGMPTR-UHFFFAOYSA-N
XLogP0.42
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-(2-ethoxy-2-oxoethyl)-5-(hydroxymethyl)-3-methylpyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
CID 16781597
Ethyl 4-formyl-1,3-dimethyl-1H-pyrazole-5-carboxylate
CID 22356652
1,5-Dimethyl-4-methoxycarbonyl-1h-pyrazole-3-carboxylic acid
CID 10535943
Dimethyl 1-(2-cyanoethyl)-5-methyl-1H-pyrazole-3,4-dicarboxylate
CID 24208970
3-(methoxycarbonyl)-1,4-dimethyl-1H-pyrazole-5-carboxylic acid
CID 131491740
3-Ethoxycarbonyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
CID 102455902
Dimethyl 1-ethenyl-5-methylpyrazole-3,4-dicarboxylate
CID 86095222
Ethyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate
CID 9855653
4-Ethoxycarbonyl-5-(1-hydroxymethyl)-1,3-dimethylpyrazole
CID 12520024
ethyl 3-(hydroxymethyl)-1-methyl-4-(trifluoromethyl)-1H-pyrazole-5-carboxylate
CID 58542528
Ethyl 5-(1-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxylate
CID 12520025
Ethyl 1-(2-ethoxy-2-oxoethyl)-5-(1-hydroxyethyl)-3-methylpyrazole-4-carboxylate
CID 12677009

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethoxy-2-oxoethyl)-5-(hydroxymethyl)-3-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(2-ethoxy-2-oxoethyl)-5-(hydroxymethyl)-3-methylpyrazole-4-carboxylate (CID 12677008) is ethyl 1-(2-ethoxy-2-oxoethyl)-5-(hydroxymethyl)-3-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethoxy-2-oxoethyl)-5-(hydroxymethyl)-3-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2-ethoxy-2-oxoethyl)-5-(hydroxymethyl)-3-methylpyrazole-4-carboxylate is CCOC(=O)Cn1nc(C)c(C(=O)OCC)c1CO.
What is the InChIKey of ethyl 1-(2-ethoxy-2-oxoethyl)-5-(hydroxymethyl)-3-methylpyrazole-4-carboxylate?
The InChIKey is FSZOMMAZTGMPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-4-18-10(16)6-14-9(7-15)11(8(3)13-14)12(17)19-5-2/h15H,4-7H2,1-3H3.
What are the key properties of ethyl 1-(2-ethoxy-2-oxoethyl)-5-(hydroxymethyl)-3-methylpyrazole-4-carboxylate?
ethyl 1-(2-ethoxy-2-oxoethyl)-5-(hydroxymethyl)-3-methylpyrazole-4-carboxylate has a molecular weight of 270.28 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethoxy-2-oxoethyl)-5-(hydroxymethyl)-3-methylpyrazole-4-carboxylate is sourced from PubChem (CID 12677008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).