[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol

C18H14N2O2 — CID 740225

IUPAC[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C18H14N2O2/c21-12-14-11-20(15-7-2-1-3-8-15)19-18(14)17-10-13-6-4-5-9-16(13)22-17/h1-11,21H,12H2
InChIKeyHNKJTMMTUUZHMP-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.78
Rot. Bonds3

About [3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol

[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol (PubChem CID 740225) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is [3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol
PubChem CID740225
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C18H14N2O2/c21-12-14-11-20(15-7-2-1-3-8-15)19-18(14)17-10-13-6-4-5-9-16(13)22-17/h1-11,21H,12H2
InChIKeyHNKJTMMTUUZHMP-UHFFFAOYSA-N
XLogP3.78
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol?
The IUPAC name of [3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol (CID 740225) is [3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol is OCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1.
What is the InChIKey of [3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol?
The InChIKey is HNKJTMMTUUZHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-12-14-11-20(15-7-2-1-3-8-15)19-18(14)17-10-13-6-4-5-9-16(13)22-17/h1-11,21H,12H2.
What are the key properties of [3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol?
[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol has a molecular weight of 290.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 740225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).