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

C17H22N2O2 — CID 106676934

IUPACethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)n1nc(C)c(CC)c1C
InChIInChI=1S/C17H22N2O2/c1-5-15-12(3)18-19(13(15)4)16(17(20)21-6-2)14-10-8-7-9-11-14/h7-11,16H,5-6H2,1-4H3
InChIKeySCDRQWHULKWMPJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.21
Rot. Bonds5

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

ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-phenylacetate (PubChem CID 106676934) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-phenylacetate
PubChem CID106676934
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nameethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)n1nc(C)c(CC)c1C
InChIInChI=1S/C17H22N2O2/c1-5-15-12(3)18-19(13(15)4)16(17(20)21-6-2)14-10-8-7-9-11-14/h7-11,16H,5-6H2,1-4H3
InChIKeySCDRQWHULKWMPJ-UHFFFAOYSA-N
XLogP3.21
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-phenylacetate?
The IUPAC name of ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-phenylacetate (CID 106676934) is ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-phenylacetate?
The canonical SMILES for ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-phenylacetate is CCOC(=O)C(c1ccccc1)n1nc(C)c(CC)c1C.
What is the InChIKey of ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-phenylacetate?
The InChIKey is SCDRQWHULKWMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-15-12(3)18-19(13(15)4)16(17(20)21-6-2)14-10-8-7-9-11-14/h7-11,16H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-phenylacetate?
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-phenylacetate has a molecular weight of 286.38 g/mol, XLogP of 3.21, 5 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)-2-phenylacetate is sourced from PubChem (CID 106676934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).