(2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone

C16H12N2O2 — CID 688697

IUPAC(2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)c1ccccc1O
InChIInChI=1S/C16H12N2O2/c19-15-9-5-4-8-14(15)16(20)12-10-17-18(11-12)13-6-2-1-3-7-13/h1-11,19H
InChIKeyWTRJNEICFURGNX-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.81
Rot. Bonds3

About (2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone

(2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone (PubChem CID 688697) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
PubChem CID688697
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name(2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)c1ccccc1O
InChIInChI=1S/C16H12N2O2/c19-15-9-5-4-8-14(15)16(20)12-10-17-18(11-12)13-6-2-1-3-7-13/h1-11,19H
InChIKeyWTRJNEICFURGNX-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of (2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone (CID 688697) is (2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone is O=C(c1cnn(-c2ccccc2)c1)c1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is WTRJNEICFURGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-15-9-5-4-8-14(15)16(20)12-10-17-18(11-12)13-6-2-1-3-7-13/h1-11,19H.
What are the key properties of (2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone?
(2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 264.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 688697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).