4-diphenylphosphoryl-1-phenylpyrazole

C21H17N2OP — CID 140712831

IUPAC4-diphenylphosphoryl-1-phenylpyrazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H17N2OP/c24-25(19-12-6-2-7-13-19,20-14-8-3-9-15-20)21-16-22-23(17-21)18-10-4-1-5-11-18/h1-17H
InChIKeyUTFISTUVYWUASR-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.51
Rot. Bonds4

About 4-diphenylphosphoryl-1-phenylpyrazole

4-diphenylphosphoryl-1-phenylpyrazole (PubChem CID 140712831) has the molecular formula C21H17N2OP and a molecular weight of 344.35 g/mol. Its IUPAC name is 4-diphenylphosphoryl-1-phenylpyrazole.

Molecular Properties

Compound Name4-diphenylphosphoryl-1-phenylpyrazole
PubChem CID140712831
Molecular FormulaC21H17N2OP
Molecular Weight344.35 g/mol
Exact Mass344.11
IUPAC Name4-diphenylphosphoryl-1-phenylpyrazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H17N2OP/c24-25(19-12-6-2-7-13-19,20-14-8-3-9-15-20)21-16-22-23(17-21)18-10-4-1-5-11-18/h1-17H
InChIKeyUTFISTUVYWUASR-UHFFFAOYSA-N
XLogP3.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenylpyrazole-4-carbonyl iodide
CID 130257311
4-nitro-1-phenylpyrazole
CID 2755894
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
(1-phenylpyrazol-4-yl)boronic acid
CID 43145398
6-methyl-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
CID 110472220
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N-(4-fluorophenyl)-1-phenylpyrazol-4-amine
CID 82537198
4-oxo-4-(1-phenylpyrazol-4-yl)butanoic acid
CID 43322472
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
3-(1-phenylpyrazol-4-yl)prop-2-ynal
CID 22631148
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774

Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphoryl-1-phenylpyrazole?
The IUPAC name of 4-diphenylphosphoryl-1-phenylpyrazole (CID 140712831) is 4-diphenylphosphoryl-1-phenylpyrazole.
What is the SMILES notation for 4-diphenylphosphoryl-1-phenylpyrazole?
The canonical SMILES for 4-diphenylphosphoryl-1-phenylpyrazole is O=P(c1ccccc1)(c1ccccc1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-diphenylphosphoryl-1-phenylpyrazole?
The InChIKey is UTFISTUVYWUASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N2OP/c24-25(19-12-6-2-7-13-19,20-14-8-3-9-15-20)21-16-22-23(17-21)18-10-4-1-5-11-18/h1-17H.
What are the key properties of 4-diphenylphosphoryl-1-phenylpyrazole?
4-diphenylphosphoryl-1-phenylpyrazole has a molecular weight of 344.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphoryl-1-phenylpyrazole is sourced from PubChem (CID 140712831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).