ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate

C8H11ClN2O2 — CID 59813966

IUPACethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1ncc(Cl)c1C
InChIInChI=1S/C8H11ClN2O2/c1-3-13-8(12)5-11-6(2)7(9)4-10-11/h4H,3,5H2,1-2H3
InChIKeyQNSYEUDXDLNSCP-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.41
Rot. Bonds3

About ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate

ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate (PubChem CID 59813966) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate
PubChem CID59813966
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Nameethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1ncc(Cl)c1C
InChIInChI=1S/C8H11ClN2O2/c1-3-13-8(12)5-11-6(2)7(9)4-10-11/h4H,3,5H2,1-2H3
InChIKeyQNSYEUDXDLNSCP-UHFFFAOYSA-N
XLogP1.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate?
The IUPAC name of ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate (CID 59813966) is ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate is CCOC(=O)Cn1ncc(Cl)c1C.
What is the InChIKey of ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate?
The InChIKey is QNSYEUDXDLNSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-3-13-8(12)5-11-6(2)7(9)4-10-11/h4H,3,5H2,1-2H3.
What are the key properties of ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate?
ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate has a molecular weight of 202.64 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate is sourced from PubChem (CID 59813966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).