ethyl 1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate

C12H11FN2O3 — CID 730292

IUPACethyl 1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C12H11FN2O3/c1-2-18-12(17)11-10(16)7-15(14-11)9-5-3-8(13)4-6-9/h3-7,16H,2H2,1H3
InChIKeyWRWOTBYUDNAZFR-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.89
Rot. Bonds3

About ethyl 1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate

ethyl 1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate (PubChem CID 730292) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate
PubChem CID730292
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Nameethyl 1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C12H11FN2O3/c1-2-18-12(17)11-10(16)7-15(14-11)9-5-3-8(13)4-6-9/h3-7,16H,2H2,1H3
InChIKeyWRWOTBYUDNAZFR-UHFFFAOYSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate (CID 730292) is ethyl 1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccc(F)cc2)cc1O.
What is the InChIKey of ethyl 1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate?
The InChIKey is WRWOTBYUDNAZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-2-18-12(17)11-10(16)7-15(14-11)9-5-3-8(13)4-6-9/h3-7,16H,2H2,1H3.
What are the key properties of ethyl 1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate?
ethyl 1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate has a molecular weight of 250.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate is sourced from PubChem (CID 730292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).