[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]-phenylmethanone

C22H16N2O2 — CID 138753511

IUPAC[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1nc(-c2ccccc2)cc1-c1ccccc1O
InChIInChI=1S/C22H16N2O2/c25-21-14-8-7-13-18(21)20-15-19(16-9-3-1-4-10-16)23-24(20)22(26)17-11-5-2-6-12-17/h1-15,25H
InChIKeyZRTXDPHYAXGOCW-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.61
Rot. Bonds3

About [5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]-phenylmethanone

[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]-phenylmethanone (PubChem CID 138753511) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is [5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]-phenylmethanone
PubChem CID138753511
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1nc(-c2ccccc2)cc1-c1ccccc1O
InChIInChI=1S/C22H16N2O2/c25-21-14-8-7-13-18(21)20-15-19(16-9-3-1-4-10-16)23-24(20)22(26)17-11-5-2-6-12-17/h1-15,25H
InChIKeyZRTXDPHYAXGOCW-UHFFFAOYSA-N
XLogP4.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]-phenylmethanone?
The IUPAC name of [5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]-phenylmethanone (CID 138753511) is [5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]-phenylmethanone.
What is the SMILES notation for [5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]-phenylmethanone?
The canonical SMILES for [5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]-phenylmethanone is O=C(c1ccccc1)n1nc(-c2ccccc2)cc1-c1ccccc1O.
What is the InChIKey of [5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]-phenylmethanone?
The InChIKey is ZRTXDPHYAXGOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-21-14-8-7-13-18(21)20-15-19(16-9-3-1-4-10-16)23-24(20)22(26)17-11-5-2-6-12-17/h1-15,25H.
What are the key properties of [5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]-phenylmethanone?
[5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]-phenylmethanone has a molecular weight of 340.38 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-hydroxyphenyl)-3-phenylpyrazol-1-yl]-phenylmethanone is sourced from PubChem (CID 138753511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).