ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate

C11H18N2O2 — CID 50888392

IUPACethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nc(C)c(CC)c1C
InChIInChI=1S/C11H18N2O2/c1-5-10-8(3)12-13(9(10)4)7-11(14)15-6-2/h5-7H2,1-4H3
InChIKeyNOEXSSDNEUWXSX-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.63
Rot. Bonds4

About ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate

ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate (PubChem CID 50888392) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
PubChem CID50888392
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nc(C)c(CC)c1C
InChIInChI=1S/C11H18N2O2/c1-5-10-8(3)12-13(9(10)4)7-11(14)15-6-2/h5-7H2,1-4H3
InChIKeyNOEXSSDNEUWXSX-UHFFFAOYSA-N
XLogP1.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;dihydrochloride
CID 86767563
ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate
CID 66400895
ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 43648049
ethyl 2-[3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazol-4-yl]acetate
CID 66937785
ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 120847008
ethyl 2-[4-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 120834690
ethyl 2-[4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 120842921
methyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;dihydrochloride
CID 71757186
ethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate
CID 61381131
ethyl (E)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)but-2-enoate
CID 80546692
ethyl 2-[3,5-dimethyl-4-[[methyl(piperidin-4-yl)amino]methyl]pyrazol-1-yl]acetate
CID 120835377
N-(4-aminophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylacetamide
CID 61237766

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate?
The IUPAC name of ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate (CID 50888392) is ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate is CCOC(=O)Cn1nc(C)c(CC)c1C.
What is the InChIKey of ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate?
The InChIKey is NOEXSSDNEUWXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-10-8(3)12-13(9(10)4)7-11(14)15-6-2/h5-7H2,1-4H3.
What are the key properties of ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate?
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate has a molecular weight of 210.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate is sourced from PubChem (CID 50888392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).