1-(4-hydroxyphenyl)-3-phenylpyrazole-4-carbaldehyde

C16H12N2O2 — CID 46906153

IUPAC1-(4-hydroxyphenyl)-3-phenylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(O)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-11-13-10-18(14-6-8-15(20)9-7-14)17-16(13)12-4-2-1-3-5-12/h1-11,20H
InChIKeyPBXPVSMOQZHPOO-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.06
Rot. Bonds3

About 1-(4-hydroxyphenyl)-3-phenylpyrazole-4-carbaldehyde

1-(4-hydroxyphenyl)-3-phenylpyrazole-4-carbaldehyde (PubChem CID 46906153) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-phenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-phenylpyrazole-4-carbaldehyde
PubChem CID46906153
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name1-(4-hydroxyphenyl)-3-phenylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccc(O)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-11-13-10-18(14-6-8-15(20)9-7-14)17-16(13)12-4-2-1-3-5-12/h1-11,20H
InChIKeyPBXPVSMOQZHPOO-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-phenylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(4-hydroxyphenyl)-3-phenylpyrazole-4-carbaldehyde (CID 46906153) is 1-(4-hydroxyphenyl)-3-phenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-phenylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-phenylpyrazole-4-carbaldehyde is O=Cc1cn(-c2ccc(O)cc2)nc1-c1ccccc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-phenylpyrazole-4-carbaldehyde?
The InChIKey is PBXPVSMOQZHPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-11-13-10-18(14-6-8-15(20)9-7-14)17-16(13)12-4-2-1-3-5-12/h1-11,20H.
What are the key properties of 1-(4-hydroxyphenyl)-3-phenylpyrazole-4-carbaldehyde?
1-(4-hydroxyphenyl)-3-phenylpyrazole-4-carbaldehyde has a molecular weight of 264.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-phenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 46906153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).