dicyclohexyl-(2-phenylpyrazol-3-yl)phosphane

C21H29N2P — CID 102599721

IUPACdicyclohexyl-(2-phenylpyrazol-3-yl)phosphane
SMILESc1ccc(-n2nccc2P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C21H29N2P/c1-4-10-18(11-5-1)23-21(16-17-22-23)24(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,16-17,19-20H,2-3,6-9,12-15H2
InChIKeySIPRPYAMTQUBBP-UHFFFAOYSA-N
MW340.45 g/mol
LogP5.64
Rot. Bonds4

About dicyclohexyl-(2-phenylpyrazol-3-yl)phosphane

dicyclohexyl-(2-phenylpyrazol-3-yl)phosphane (PubChem CID 102599721) has the molecular formula C21H29N2P and a molecular weight of 340.45 g/mol. Its IUPAC name is dicyclohexyl-(2-phenylpyrazol-3-yl)phosphane.

Molecular Properties

Compound Namedicyclohexyl-(2-phenylpyrazol-3-yl)phosphane
PubChem CID102599721
Molecular FormulaC21H29N2P
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC Namedicyclohexyl-(2-phenylpyrazol-3-yl)phosphane
SMILESc1ccc(-n2nccc2P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C21H29N2P/c1-4-10-18(11-5-1)23-21(16-17-22-23)24(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,16-17,19-20H,2-3,6-9,12-15H2
InChIKeySIPRPYAMTQUBBP-UHFFFAOYSA-N
XLogP5.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-(2-phenylpyrazol-3-yl)phosphane?
The IUPAC name of dicyclohexyl-(2-phenylpyrazol-3-yl)phosphane (CID 102599721) is dicyclohexyl-(2-phenylpyrazol-3-yl)phosphane.
What is the SMILES notation for dicyclohexyl-(2-phenylpyrazol-3-yl)phosphane?
The canonical SMILES for dicyclohexyl-(2-phenylpyrazol-3-yl)phosphane is c1ccc(-n2nccc2P(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of dicyclohexyl-(2-phenylpyrazol-3-yl)phosphane?
The InChIKey is SIPRPYAMTQUBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N2P/c1-4-10-18(11-5-1)23-21(16-17-22-23)24(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1,4-5,10-11,16-17,19-20H,2-3,6-9,12-15H2.
What are the key properties of dicyclohexyl-(2-phenylpyrazol-3-yl)phosphane?
dicyclohexyl-(2-phenylpyrazol-3-yl)phosphane has a molecular weight of 340.45 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(2-phenylpyrazol-3-yl)phosphane is sourced from PubChem (CID 102599721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).