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

C14H15FN2O2 — CID 59281392

IUPACethyl 2-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)cc1-c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2/c1-3-19-14(18)9-17-13(8-10(2)16-17)11-4-6-12(15)7-5-11/h4-8H,3,9H2,1-2H3
InChIKeyUQRHDQQLJOCFJC-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.56
Rot. Bonds4

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

ethyl 2-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]acetate (PubChem CID 59281392) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is ethyl 2-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]acetate
PubChem CID59281392
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Nameethyl 2-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)cc1-c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2/c1-3-19-14(18)9-17-13(8-10(2)16-17)11-4-6-12(15)7-5-11/h4-8H,3,9H2,1-2H3
InChIKeyUQRHDQQLJOCFJC-UHFFFAOYSA-N
XLogP2.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]acetate (CID 59281392) is ethyl 2-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]acetate is CCOC(=O)Cn1nc(C)cc1-c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]acetate?
The InChIKey is UQRHDQQLJOCFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-3-19-14(18)9-17-13(8-10(2)16-17)11-4-6-12(15)7-5-11/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 2-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]acetate?
ethyl 2-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]acetate has a molecular weight of 262.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]acetate is sourced from PubChem (CID 59281392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).