[1-(4-chlorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone

C16H11ClN2O2 — CID 1481828

IUPAC[1-(4-chlorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnn(-c2ccc(Cl)cc2)c1)c1ccccc1O
InChIInChI=1S/C16H11ClN2O2/c17-12-5-7-13(8-6-12)19-10-11(9-18-19)16(21)14-3-1-2-4-15(14)20/h1-10,20H
InChIKeyIUHJXLFNKATJBA-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.46
Rot. Bonds3

About [1-(4-chlorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone

[1-(4-chlorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone (PubChem CID 1481828) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is [1-(4-chlorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
PubChem CID1481828
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name[1-(4-chlorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnn(-c2ccc(Cl)cc2)c1)c1ccccc1O
InChIInChI=1S/C16H11ClN2O2/c17-12-5-7-13(8-6-12)19-10-11(9-18-19)16(21)14-3-1-2-4-15(14)20/h1-10,20H
InChIKeyIUHJXLFNKATJBA-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [1-(4-chlorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone (CID 1481828) is [1-(4-chlorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone is O=C(c1cnn(-c2ccc(Cl)cc2)c1)c1ccccc1O.
What is the InChIKey of [1-(4-chlorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is IUHJXLFNKATJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-5-7-13(8-6-12)19-10-11(9-18-19)16(21)14-3-1-2-4-15(14)20/h1-10,20H.
What are the key properties of [1-(4-chlorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
[1-(4-chlorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 298.73 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 1481828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).