1-hydroxy-3,4,5-triphenylpyrazole

C21H16N2O — CID 67794200

IUPAC1-hydroxy-3,4,5-triphenylpyrazole
SMILESOn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H16N2O/c24-23-21(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)20(22-23)17-12-6-2-7-13-17/h1-15,24H
InChIKeyMYSCVTFEILMJRI-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.12
Rot. Bonds3

About 1-hydroxy-3,4,5-triphenylpyrazole

1-hydroxy-3,4,5-triphenylpyrazole (PubChem CID 67794200) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-hydroxy-3,4,5-triphenylpyrazole.

Molecular Properties

Compound Name1-hydroxy-3,4,5-triphenylpyrazole
PubChem CID67794200
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name1-hydroxy-3,4,5-triphenylpyrazole
SMILESOn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H16N2O/c24-23-21(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)20(22-23)17-12-6-2-7-13-17/h1-15,24H
InChIKeyMYSCVTFEILMJRI-UHFFFAOYSA-N
XLogP5.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4,5-triphenylpyrazol-1-yl)hexanoic acid
CID 15725723
N,N-dimethyl-4-(3,4,5-triphenylpyrazol-1-yl)aniline
CID 59515054
4-[1-(3-fluorophenyl)-3-(4-hydroxyphenyl)-4-phenylpyrazol-5-yl]phenol
CID 135693348
1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 155159510
1,3,4-triphenylpyrazole-5-carboxylic acid
CID 15566290
1-(4-nitrophenyl)-3,4,5-triphenylpyrazole
CID 59515058
1,5-dimethyl-3,4-diphenylpyrazole
CID 13146064
2,2,4,4,6,6-hexakis[4-(1,3,5-triphenylpyrazol-4-yl)phenoxy]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 132562543
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
5-fluoro-1-methyl-3,4-diphenylpyrazole
CID 174249239
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
2-[6-(3,4,5-triphenylpyrazol-1-yl)hexylsulfanyl]acetate
CID 19982285

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3,4,5-triphenylpyrazole?
The IUPAC name of 1-hydroxy-3,4,5-triphenylpyrazole (CID 67794200) is 1-hydroxy-3,4,5-triphenylpyrazole.
What is the SMILES notation for 1-hydroxy-3,4,5-triphenylpyrazole?
The canonical SMILES for 1-hydroxy-3,4,5-triphenylpyrazole is On1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-hydroxy-3,4,5-triphenylpyrazole?
The InChIKey is MYSCVTFEILMJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c24-23-21(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)20(22-23)17-12-6-2-7-13-17/h1-15,24H.
What are the key properties of 1-hydroxy-3,4,5-triphenylpyrazole?
1-hydroxy-3,4,5-triphenylpyrazole has a molecular weight of 312.37 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,4,5-triphenylpyrazole is sourced from PubChem (CID 67794200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).