ethyl 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetate

C10H14F2N2O2 — CID 63974853

IUPACethyl 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetate
SMILESCCCn1nccc1C(F)(F)C(=O)OCC
InChIInChI=1S/C10H14F2N2O2/c1-3-7-14-8(5-6-13-14)10(11,12)9(15)16-4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyQJTXJQIZDPETGK-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.95
Rot. Bonds5

About ethyl 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetate

ethyl 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetate (PubChem CID 63974853) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetate
PubChem CID63974853
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Nameethyl 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetate
SMILESCCCn1nccc1C(F)(F)C(=O)OCC
InChIInChI=1S/C10H14F2N2O2/c1-3-7-14-8(5-6-13-14)10(11,12)9(15)16-4-2/h5-6H,3-4,7H2,1-2H3
InChIKeyQJTXJQIZDPETGK-UHFFFAOYSA-N
XLogP1.95
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetate (CID 63974853) is ethyl 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetate is CCCn1nccc1C(F)(F)C(=O)OCC.
What is the InChIKey of ethyl 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetate?
The InChIKey is QJTXJQIZDPETGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c1-3-7-14-8(5-6-13-14)10(11,12)9(15)16-4-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetate?
ethyl 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetate has a molecular weight of 232.23 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetate is sourced from PubChem (CID 63974853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).