ethyl 2-fluoro-2-(2-propylpyrazol-3-yl)acetate

C10H15FN2O2 — CID 79366603

IUPACethyl 2-fluoro-2-(2-propylpyrazol-3-yl)acetate
SMILESCCCn1nccc1C(F)C(=O)OCC
InChIInChI=1S/C10H15FN2O2/c1-3-7-13-8(5-6-12-13)9(11)10(14)15-4-2/h5-6,9H,3-4,7H2,1-2H3
InChIKeySWYCQRTZEYMWLE-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.87
Rot. Bonds5

About ethyl 2-fluoro-2-(2-propylpyrazol-3-yl)acetate

ethyl 2-fluoro-2-(2-propylpyrazol-3-yl)acetate (PubChem CID 79366603) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(2-propylpyrazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(2-propylpyrazol-3-yl)acetate
PubChem CID79366603
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Nameethyl 2-fluoro-2-(2-propylpyrazol-3-yl)acetate
SMILESCCCn1nccc1C(F)C(=O)OCC
InChIInChI=1S/C10H15FN2O2/c1-3-7-13-8(5-6-12-13)9(11)10(14)15-4-2/h5-6,9H,3-4,7H2,1-2H3
InChIKeySWYCQRTZEYMWLE-UHFFFAOYSA-N
XLogP1.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(2-propylpyrazol-3-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(2-propylpyrazol-3-yl)acetate (CID 79366603) is ethyl 2-fluoro-2-(2-propylpyrazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(2-propylpyrazol-3-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(2-propylpyrazol-3-yl)acetate is CCCn1nccc1C(F)C(=O)OCC.
What is the InChIKey of ethyl 2-fluoro-2-(2-propylpyrazol-3-yl)acetate?
The InChIKey is SWYCQRTZEYMWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-3-7-13-8(5-6-12-13)9(11)10(14)15-4-2/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(2-propylpyrazol-3-yl)acetate?
ethyl 2-fluoro-2-(2-propylpyrazol-3-yl)acetate has a molecular weight of 214.24 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(2-propylpyrazol-3-yl)acetate is sourced from PubChem (CID 79366603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).