ethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate

C16H18N2O3 — CID 117461833

IUPACethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc(-n2nccc2C2CC2)c1
InChIInChI=1S/C16H18N2O3/c1-2-21-16(20)15(19)12-4-3-5-13(10-12)18-14(8-9-17-18)11-6-7-11/h3-5,8-11,15,19H,2,6-7H2,1H3
InChIKeyGJSYJPJUNVYHPP-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.35
Rot. Bonds5

About ethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate

ethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate (PubChem CID 117461833) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate
PubChem CID117461833
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc(-n2nccc2C2CC2)c1
InChIInChI=1S/C16H18N2O3/c1-2-21-16(20)15(19)12-4-3-5-13(10-12)18-14(8-9-17-18)11-6-7-11/h3-5,8-11,15,19H,2,6-7H2,1H3
InChIKeyGJSYJPJUNVYHPP-UHFFFAOYSA-N
XLogP2.35
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol
CID 117358013
1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one
CID 117353584
3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117457932
2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetic acid
CID 117399041
2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine
CID 84691343
ethyl 2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-2-hydroxyacetate
CID 117479380
5-cyclopropyl-1-phenylpyrazole
CID 67206706
ethyl 2-hydroxy-2-(3-pentan-3-ylphenyl)acetate
CID 117379558
ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate
CID 117415048
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
methyl 2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetate
CID 117337590
2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol
CID 117358014

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate (CID 117461833) is ethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1cccc(-n2nccc2C2CC2)c1.
What is the InChIKey of ethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate?
The InChIKey is GJSYJPJUNVYHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-21-16(20)15(19)12-4-3-5-13(10-12)18-14(8-9-17-18)11-6-7-11/h3-5,8-11,15,19H,2,6-7H2,1H3.
What are the key properties of ethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate?
ethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate has a molecular weight of 286.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117461833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).