ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(5-propylpyrimidin-4-yl)acetate

C19H20FN5O2 — CID 59646932

IUPACethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(5-propylpyrimidin-4-yl)acetate
SMILESCCCc1cncnc1C(C(=O)OCC)c1ccnn1-c1ncccc1F
InChIInChI=1S/C19H20FN5O2/c1-3-6-13-11-21-12-23-17(13)16(19(26)27-4-2)15-8-10-24-25(15)18-14(20)7-5-9-22-18/h5,7-12,16H,3-4,6H2,1-2H3
InChIKeyYUHHURFSDQEGTR-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.84
Rot. Bonds7

About ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(5-propylpyrimidin-4-yl)acetate

ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(5-propylpyrimidin-4-yl)acetate (PubChem CID 59646932) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(5-propylpyrimidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(5-propylpyrimidin-4-yl)acetate
PubChem CID59646932
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Nameethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(5-propylpyrimidin-4-yl)acetate
SMILESCCCc1cncnc1C(C(=O)OCC)c1ccnn1-c1ncccc1F
InChIInChI=1S/C19H20FN5O2/c1-3-6-13-11-21-12-23-17(13)16(19(26)27-4-2)15-8-10-24-25(15)18-14(20)7-5-9-22-18/h5,7-12,16H,3-4,6H2,1-2H3
InChIKeyYUHHURFSDQEGTR-UHFFFAOYSA-N
XLogP2.84
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(5-propylpyrimidin-4-yl)acetate?
The IUPAC name of ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(5-propylpyrimidin-4-yl)acetate (CID 59646932) is ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(5-propylpyrimidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(5-propylpyrimidin-4-yl)acetate?
The canonical SMILES for ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(5-propylpyrimidin-4-yl)acetate is CCCc1cncnc1C(C(=O)OCC)c1ccnn1-c1ncccc1F.
What is the InChIKey of ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(5-propylpyrimidin-4-yl)acetate?
The InChIKey is YUHHURFSDQEGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-3-6-13-11-21-12-23-17(13)16(19(26)27-4-2)15-8-10-24-25(15)18-14(20)7-5-9-22-18/h5,7-12,16H,3-4,6H2,1-2H3.
What are the key properties of ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(5-propylpyrimidin-4-yl)acetate?
ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(5-propylpyrimidin-4-yl)acetate has a molecular weight of 369.40 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(5-propylpyrimidin-4-yl)acetate is sourced from PubChem (CID 59646932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).