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

C18H15FN2O2 — CID 2901180

IUPACethyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2/c1-2-23-18(22)16-12-21(15-6-4-3-5-7-15)20-17(16)13-8-10-14(19)11-9-13/h3-12H,2H2,1H3
InChIKeyFJEUCINYMQBGKL-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.86
Rot. Bonds4

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

ethyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate (PubChem CID 2901180) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is ethyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
PubChem CID2901180
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Nameethyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2/c1-2-23-18(22)16-12-21(15-6-4-3-5-7-15)20-17(16)13-8-10-14(19)11-9-13/h3-12H,2H2,1H3
InChIKeyFJEUCINYMQBGKL-UHFFFAOYSA-N
XLogP3.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate (CID 2901180) is ethyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of ethyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is FJEUCINYMQBGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-2-23-18(22)16-12-21(15-6-4-3-5-7-15)20-17(16)13-8-10-14(19)11-9-13/h3-12H,2H2,1H3.
What are the key properties of ethyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate?
ethyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 310.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 2901180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).