[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone

C16H12N2O2 — CID 921855

IUPAC[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cn[nH]c1-c1ccccc1O
InChIInChI=1S/C16H12N2O2/c19-14-9-5-4-8-12(14)15-13(10-17-18-15)16(20)11-6-2-1-3-7-11/h1-10,19H,(H,17,18)
InChIKeyBUBSIFUWZVDVES-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.01
Rot. Bonds3

About [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone

[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone (PubChem CID 921855) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone
PubChem CID921855
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cn[nH]c1-c1ccccc1O
InChIInChI=1S/C16H12N2O2/c19-14-9-5-4-8-12(14)15-13(10-17-18-15)16(20)11-6-2-1-3-7-11/h1-10,19H,(H,17,18)
InChIKeyBUBSIFUWZVDVES-UHFFFAOYSA-N
XLogP3.01
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone?
The IUPAC name of [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone (CID 921855) is [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone.
What is the SMILES notation for [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone?
The canonical SMILES for [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone is O=C(c1ccccc1)c1cn[nH]c1-c1ccccc1O.
What is the InChIKey of [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone?
The InChIKey is BUBSIFUWZVDVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-14-9-5-4-8-12(14)15-13(10-17-18-15)16(20)11-6-2-1-3-7-11/h1-10,19H,(H,17,18).
What are the key properties of [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone?
[5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone has a molecular weight of 264.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-hydroxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone is sourced from PubChem (CID 921855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).