diphenyl-[2-(1H-pyrazol-5-yl)phenyl]phosphane

C21H17N2P — CID 59804940

IUPACdiphenyl-[2-(1H-pyrazol-5-yl)phenyl]phosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2-c2ccn[nH]2)cc1
InChIInChI=1S/C21H17N2P/c1-3-9-17(10-4-1)24(18-11-5-2-6-12-18)21-14-8-7-13-19(21)20-15-16-22-23-20/h1-16H,(H,22,23)
InChIKeyHMMSIADJAUBCEQ-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.83
Rot. Bonds4

About diphenyl-[2-(1H-pyrazol-5-yl)phenyl]phosphane

diphenyl-[2-(1H-pyrazol-5-yl)phenyl]phosphane (PubChem CID 59804940) has the molecular formula C21H17N2P and a molecular weight of 328.36 g/mol. Its IUPAC name is diphenyl-[2-(1H-pyrazol-5-yl)phenyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-(1H-pyrazol-5-yl)phenyl]phosphane
PubChem CID59804940
Molecular FormulaC21H17N2P
Molecular Weight328.36 g/mol
Exact Mass328.11
IUPAC Namediphenyl-[2-(1H-pyrazol-5-yl)phenyl]phosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2-c2ccn[nH]2)cc1
InChIInChI=1S/C21H17N2P/c1-3-9-17(10-4-1)24(18-11-5-2-6-12-18)21-14-8-7-13-19(21)20-15-16-22-23-20/h1-16H,(H,22,23)
InChIKeyHMMSIADJAUBCEQ-UHFFFAOYSA-N
XLogP3.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 70840
CID 70840
CID 17155
CID 17155
CID 139601
CID 139601
CID 11506914
CID 11506914
CID 2806015
CID 2806015
CID 2737035
CID 2737035
CID 283921
CID 283921
CID 16122634
CID 16122634
CID 16105481
CID 16105481
CID 2735398
CID 2735398
CID 2725023
CID 2725023
CID 283965
CID 283965

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-(1H-pyrazol-5-yl)phenyl]phosphane?
The IUPAC name of diphenyl-[2-(1H-pyrazol-5-yl)phenyl]phosphane (CID 59804940) is diphenyl-[2-(1H-pyrazol-5-yl)phenyl]phosphane.
What is the SMILES notation for diphenyl-[2-(1H-pyrazol-5-yl)phenyl]phosphane?
The canonical SMILES for diphenyl-[2-(1H-pyrazol-5-yl)phenyl]phosphane is c1ccc(P(c2ccccc2)c2ccccc2-c2ccn[nH]2)cc1.
What is the InChIKey of diphenyl-[2-(1H-pyrazol-5-yl)phenyl]phosphane?
The InChIKey is HMMSIADJAUBCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N2P/c1-3-9-17(10-4-1)24(18-11-5-2-6-12-18)21-14-8-7-13-19(21)20-15-16-22-23-20/h1-16H,(H,22,23).
What are the key properties of diphenyl-[2-(1H-pyrazol-5-yl)phenyl]phosphane?
diphenyl-[2-(1H-pyrazol-5-yl)phenyl]phosphane has a molecular weight of 328.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-(1H-pyrazol-5-yl)phenyl]phosphane is sourced from PubChem (CID 59804940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).