ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate

C12H12FN3O2 — CID 59646860

IUPACethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate
SMILESCCOC(=O)Cc1ccnn1-c1ncccc1F
InChIInChI=1S/C12H12FN3O2/c1-2-18-11(17)8-9-5-7-15-16(9)12-10(13)4-3-6-14-12/h3-7H,2,8H2,1H3
InChIKeyKBBMDLVQUXZWNH-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.51
Rot. Bonds4

About ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate

ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate (PubChem CID 59646860) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate
PubChem CID59646860
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Nameethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate
SMILESCCOC(=O)Cc1ccnn1-c1ncccc1F
InChIInChI=1S/C12H12FN3O2/c1-2-18-11(17)8-9-5-7-15-16(9)12-10(13)4-3-6-14-12/h3-7H,2,8H2,1H3
InChIKeyKBBMDLVQUXZWNH-UHFFFAOYSA-N
XLogP1.51
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate?
The IUPAC name of ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate (CID 59646860) is ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate is CCOC(=O)Cc1ccnn1-c1ncccc1F.
What is the InChIKey of ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate?
The InChIKey is KBBMDLVQUXZWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-2-18-11(17)8-9-5-7-15-16(9)12-10(13)4-3-6-14-12/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate?
ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate has a molecular weight of 249.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetate is sourced from PubChem (CID 59646860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).