1-(3-fluoro-4-methoxyphenyl)-2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol

C16H16FN3O2 — CID 109412013

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol
SMILESCOc1ccc(C(O)Cn2cc(-n3cccc3)cn2)cc1F
InChIInChI=1S/C16H16FN3O2/c1-22-16-5-4-12(8-14(16)17)15(21)11-20-10-13(9-18-20)19-6-2-3-7-19/h2-10,15,21H,11H2,1H3
InChIKeyHTQIRTPIQSEHFS-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.56
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol

1-(3-fluoro-4-methoxyphenyl)-2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol (PubChem CID 109412013) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol
PubChem CID109412013
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol
SMILESCOc1ccc(C(O)Cn2cc(-n3cccc3)cn2)cc1F
InChIInChI=1S/C16H16FN3O2/c1-22-16-5-4-12(8-14(16)17)15(21)11-20-10-13(9-18-20)19-6-2-3-7-19/h2-10,15,21H,11H2,1H3
InChIKeyHTQIRTPIQSEHFS-UHFFFAOYSA-N
XLogP2.56
TPSA52.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol (CID 109412013) is 1-(3-fluoro-4-methoxyphenyl)-2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol is COc1ccc(C(O)Cn2cc(-n3cccc3)cn2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol?
The InChIKey is HTQIRTPIQSEHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-22-16-5-4-12(8-14(16)17)15(21)11-20-10-13(9-18-20)19-6-2-3-7-19/h2-10,15,21H,11H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol?
1-(3-fluoro-4-methoxyphenyl)-2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol has a molecular weight of 301.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-(4-pyrrol-1-ylpyrazol-1-yl)ethanol is sourced from PubChem (CID 109412013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).