4-[(3-phenylpyrazol-1-yl)methyl]phenol

C16H14N2O — CID 59752932

IUPAC4-[(3-phenylpyrazol-1-yl)methyl]phenol
SMILESOc1ccc(Cn2ccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H14N2O/c19-15-8-6-13(7-9-15)12-18-11-10-16(17-18)14-4-2-1-3-5-14/h1-11,19H,12H2
InChIKeyIYBISYOWZYQLMA-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.30
Rot. Bonds3

About 4-[(3-phenylpyrazol-1-yl)methyl]phenol

4-[(3-phenylpyrazol-1-yl)methyl]phenol (PubChem CID 59752932) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(3-phenylpyrazol-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(3-phenylpyrazol-1-yl)methyl]phenol
PubChem CID59752932
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-[(3-phenylpyrazol-1-yl)methyl]phenol
SMILESOc1ccc(Cn2ccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H14N2O/c19-15-8-6-13(7-9-15)12-18-11-10-16(17-18)14-4-2-1-3-5-14/h1-11,19H,12H2
InChIKeyIYBISYOWZYQLMA-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenylpyrazol-1-yl)methyl]phenol?
The IUPAC name of 4-[(3-phenylpyrazol-1-yl)methyl]phenol (CID 59752932) is 4-[(3-phenylpyrazol-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(3-phenylpyrazol-1-yl)methyl]phenol?
The canonical SMILES for 4-[(3-phenylpyrazol-1-yl)methyl]phenol is Oc1ccc(Cn2ccc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[(3-phenylpyrazol-1-yl)methyl]phenol?
The InChIKey is IYBISYOWZYQLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-15-8-6-13(7-9-15)12-18-11-10-16(17-18)14-4-2-1-3-5-14/h1-11,19H,12H2.
What are the key properties of 4-[(3-phenylpyrazol-1-yl)methyl]phenol?
4-[(3-phenylpyrazol-1-yl)methyl]phenol has a molecular weight of 250.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenylpyrazol-1-yl)methyl]phenol is sourced from PubChem (CID 59752932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).