ethyl 3-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]propanoate

C20H18F2N2O2 — CID 19586941

IUPACethyl 3-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]propanoate
SMILESCCOC(=O)CCn1nc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C20H18F2N2O2/c1-2-26-20(25)11-12-24-19(15-5-9-17(22)10-6-15)13-18(23-24)14-3-7-16(21)8-4-14/h3-10,13H,2,11-12H2,1H3
InChIKeyAFWGWGCHRAMVFF-UHFFFAOYSA-N
MW356.37 g/mol
LogP4.45
Rot. Bonds6

About ethyl 3-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]propanoate

ethyl 3-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]propanoate (PubChem CID 19586941) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is ethyl 3-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]propanoate
PubChem CID19586941
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Nameethyl 3-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]propanoate
SMILESCCOC(=O)CCn1nc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C20H18F2N2O2/c1-2-26-20(25)11-12-24-19(15-5-9-17(22)10-6-15)13-18(23-24)14-3-7-16(21)8-4-14/h3-10,13H,2,11-12H2,1H3
InChIKeyAFWGWGCHRAMVFF-UHFFFAOYSA-N
XLogP4.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]propanoate?
The IUPAC name of ethyl 3-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]propanoate (CID 19586941) is ethyl 3-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]propanoate?
The canonical SMILES for ethyl 3-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]propanoate is CCOC(=O)CCn1nc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1.
What is the InChIKey of ethyl 3-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]propanoate?
The InChIKey is AFWGWGCHRAMVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c1-2-26-20(25)11-12-24-19(15-5-9-17(22)10-6-15)13-18(23-24)14-3-7-16(21)8-4-14/h3-10,13H,2,11-12H2,1H3.
What are the key properties of ethyl 3-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]propanoate?
ethyl 3-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]propanoate has a molecular weight of 356.37 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]propanoate is sourced from PubChem (CID 19586941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).