[2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methoxyphenyl]methanol

C16H13F3N2O3 — CID 11175143

IUPAC[2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methoxyphenyl]methanol
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)c(CO)c1
InChIInChI=1S/C16H13F3N2O3/c1-23-11-4-5-12(10(7-11)9-22)21-13(14-3-2-6-24-14)8-15(20-21)16(17,18)19/h2-8,22H,9H2,1H3
InChIKeyXOYWJSOTEMURKN-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.65
Rot. Bonds4

About [2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methoxyphenyl]methanol

[2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methoxyphenyl]methanol (PubChem CID 11175143) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is [2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methoxyphenyl]methanol
PubChem CID11175143
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Name[2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methoxyphenyl]methanol
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)c(CO)c1
InChIInChI=1S/C16H13F3N2O3/c1-23-11-4-5-12(10(7-11)9-22)21-13(14-3-2-6-24-14)8-15(20-21)16(17,18)19/h2-8,22H,9H2,1H3
InChIKeyXOYWJSOTEMURKN-UHFFFAOYSA-N
XLogP3.65
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methoxyphenyl]methanol?
The IUPAC name of [2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methoxyphenyl]methanol (CID 11175143) is [2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methoxyphenyl]methanol.
What is the SMILES notation for [2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methoxyphenyl]methanol?
The canonical SMILES for [2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methoxyphenyl]methanol is COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)c(CO)c1.
What is the InChIKey of [2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methoxyphenyl]methanol?
The InChIKey is XOYWJSOTEMURKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-23-11-4-5-12(10(7-11)9-22)21-13(14-3-2-6-24-14)8-15(20-21)16(17,18)19/h2-8,22H,9H2,1H3.
What are the key properties of [2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methoxyphenyl]methanol?
[2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methoxyphenyl]methanol has a molecular weight of 338.29 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methoxyphenyl]methanol is sourced from PubChem (CID 11175143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).