ethyl 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetate

C13H20N2O3 — CID 71187256

IUPACethyl 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C2CC2)c(CCO)c1C
InChIInChI=1S/C13H20N2O3/c1-3-18-12(17)8-15-9(2)11(6-7-16)13(14-15)10-4-5-10/h10,16H,3-8H2,1-2H3
InChIKeyTZICBKZBPHMREX-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.17
Rot. Bonds6

About ethyl 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetate

ethyl 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetate (PubChem CID 71187256) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetate
PubChem CID71187256
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethyl 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C2CC2)c(CCO)c1C
InChIInChI=1S/C13H20N2O3/c1-3-18-12(17)8-15-9(2)11(6-7-16)13(14-15)10-4-5-10/h10,16H,3-8H2,1-2H3
InChIKeyTZICBKZBPHMREX-UHFFFAOYSA-N
XLogP1.17
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetate (CID 71187256) is ethyl 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetate is CCOC(=O)Cn1nc(C2CC2)c(CCO)c1C.
What is the InChIKey of ethyl 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetate?
The InChIKey is TZICBKZBPHMREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-18-12(17)8-15-9(2)11(6-7-16)13(14-15)10-4-5-10/h10,16H,3-8H2,1-2H3.
What are the key properties of ethyl 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetate?
ethyl 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetate has a molecular weight of 252.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetate is sourced from PubChem (CID 71187256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).