ethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate

C10H16N2O2 — CID 151322614

IUPACethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate
SMILESCCOC(=O)c1c(CC)c(C)nn1C
InChIInChI=1S/C10H16N2O2/c1-5-8-7(3)11-12(4)9(8)10(13)14-6-2/h5-6H2,1-4H3
InChIKeyOGTZEYIBXUDIAW-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.47
Rot. Bonds3

About ethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate

ethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate (PubChem CID 151322614) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate
PubChem CID151322614
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate
SMILESCCOC(=O)c1c(CC)c(C)nn1C
InChIInChI=1S/C10H16N2O2/c1-5-8-7(3)11-12(4)9(8)10(13)14-6-2/h5-6H2,1-4H3
InChIKeyOGTZEYIBXUDIAW-UHFFFAOYSA-N
XLogP1.47
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-ethyl-1,3-dimethylpyrazole-5-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

4-ethyl-1,3-dimethylpyrazole-5-carboxylic acid
CID 83695194
ethyl 5-iodo-3-methyltriazole-4-carboxylate
CID 90298564
ethyl 1,3-dimethyl-4-(phenylmethoxycarbonylaminomethyl)pyrazole-5-carboxylate
CID 165430985
2-ethoxyethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66124995
ethyl 5-ethynyl-2,4-dimethylpyrazole-3-carboxylate
CID 155574912
ethyl 4-amino-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylate
CID 125041878
ethyl 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate
CID 52563002
ethyl 5-methylpyrazolo[3,4-d][1,3,2]dithiazole-6-carboxylate
CID 70378432
ethyl 3-methyl-4-nitro-1-propylpyrazole-5-carboxylate
CID 71650999
ethyl 4-bromo-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxylate
CID 24728986
ethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116630256
ethyl 1,5-dimethyltriazole-4-carboxylate
CID 14969764

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate?
The IUPAC name of ethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate (CID 151322614) is ethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate is CCOC(=O)c1c(CC)c(C)nn1C.
What is the InChIKey of ethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate?
The InChIKey is OGTZEYIBXUDIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-8-7(3)11-12(4)9(8)10(13)14-6-2/h5-6H2,1-4H3.
What are the key properties of ethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate?
ethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 151322614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).