methyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboxylate

C11H11FN2O2S — CID 121211152

IUPACmethyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccsc2)nn1CCF
InChIInChI=1S/C11H11FN2O2S/c1-16-11(15)10-6-9(8-2-5-17-7-8)13-14(10)4-3-12/h2,5-7H,3-4H2,1H3
InChIKeyCCPXAIDMZXNGGH-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.37
Rot. Bonds4

About methyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboxylate

methyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboxylate (PubChem CID 121211152) has the molecular formula C11H11FN2O2S and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboxylate
PubChem CID121211152
Molecular FormulaC11H11FN2O2S
Molecular Weight254.29 g/mol
Exact Mass254.05
IUPAC Namemethyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccsc2)nn1CCF
InChIInChI=1S/C11H11FN2O2S/c1-16-11(15)10-6-9(8-2-5-17-7-8)13-14(10)4-3-12/h2,5-7H,3-4H2,1H3
InChIKeyCCPXAIDMZXNGGH-UHFFFAOYSA-N
XLogP2.37
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboxylate?
The IUPAC name of methyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboxylate (CID 121211152) is methyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboxylate?
The canonical SMILES for methyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboxylate is COC(=O)c1cc(-c2ccsc2)nn1CCF.
What is the InChIKey of methyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboxylate?
The InChIKey is CCPXAIDMZXNGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S/c1-16-11(15)10-6-9(8-2-5-17-7-8)13-14(10)4-3-12/h2,5-7H,3-4H2,1H3.
What are the key properties of methyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboxylate?
methyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboxylate is sourced from PubChem (CID 121211152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).