ethyl 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetate

C10H13FN2O2 — CID 81298301

IUPACethyl 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)n1ccc(C2CC2)n1
InChIInChI=1S/C10H13FN2O2/c1-2-15-10(14)9(11)13-6-5-8(12-13)7-3-4-7/h5-7,9H,2-4H2,1H3
InChIKeyPDYXKXPFFUMGMA-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.79
Rot. Bonds4

About ethyl 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetate

ethyl 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetate (PubChem CID 81298301) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is ethyl 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetate
PubChem CID81298301
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Nameethyl 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)n1ccc(C2CC2)n1
InChIInChI=1S/C10H13FN2O2/c1-2-15-10(14)9(11)13-6-5-8(12-13)7-3-4-7/h5-7,9H,2-4H2,1H3
InChIKeyPDYXKXPFFUMGMA-UHFFFAOYSA-N
XLogP1.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetate (CID 81298301) is ethyl 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetate is CCOC(=O)C(F)n1ccc(C2CC2)n1.
What is the InChIKey of ethyl 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetate?
The InChIKey is PDYXKXPFFUMGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-2-15-10(14)9(11)13-6-5-8(12-13)7-3-4-7/h5-7,9H,2-4H2,1H3.
What are the key properties of ethyl 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetate?
ethyl 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetate has a molecular weight of 212.22 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetate is sourced from PubChem (CID 81298301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).