[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanol

C17H16N2O2 — CID 2512462

IUPAC[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2CO)cc1
InChIInChI=1S/C17H16N2O2/c1-21-15-9-7-13(8-10-15)16-11-19(18-17(16)12-20)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3
InChIKeyRUJGMOUMONYMEC-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.04
Rot. Bonds4

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

[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanol (PubChem CID 2512462) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
PubChem CID2512462
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2CO)cc1
InChIInChI=1S/C17H16N2O2/c1-21-15-9-7-13(8-10-15)16-11-19(18-17(16)12-20)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3
InChIKeyRUJGMOUMONYMEC-UHFFFAOYSA-N
XLogP3.04
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanol?
The IUPAC name of [4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanol (CID 2512462) is [4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanol.
What is the SMILES notation for [4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanol?
The canonical SMILES for [4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanol is COc1ccc(-c2cn(-c3ccccc3)nc2CO)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanol?
The InChIKey is RUJGMOUMONYMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-15-9-7-13(8-10-15)16-11-19(18-17(16)12-20)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanol?
[4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanol has a molecular weight of 280.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanol is sourced from PubChem (CID 2512462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).