dicyclohexyl-[2-(2-methylpyrazol-3-yl)phenyl]phosphane

C22H31N2P — CID 164899486

IUPACdicyclohexyl-[2-(2-methylpyrazol-3-yl)phenyl]phosphane
SMILESCn1nccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H31N2P/c1-24-21(16-17-23-24)20-14-8-9-15-22(20)25(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h8-9,14-19H,2-7,10-13H2,1H3
InChIKeyGMYJWHBDTCEZFP-UHFFFAOYSA-N
MW354.48 g/mol
LogP5.86
Rot. Bonds4

About dicyclohexyl-[2-(2-methylpyrazol-3-yl)phenyl]phosphane

dicyclohexyl-[2-(2-methylpyrazol-3-yl)phenyl]phosphane (PubChem CID 164899486) has the molecular formula C22H31N2P and a molecular weight of 354.48 g/mol. Its IUPAC name is dicyclohexyl-[2-(2-methylpyrazol-3-yl)phenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-(2-methylpyrazol-3-yl)phenyl]phosphane
PubChem CID164899486
Molecular FormulaC22H31N2P
Molecular Weight354.48 g/mol
Exact Mass354.22
IUPAC Namedicyclohexyl-[2-(2-methylpyrazol-3-yl)phenyl]phosphane
SMILESCn1nccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C22H31N2P/c1-24-21(16-17-23-24)20-14-8-9-15-22(20)25(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h8-9,14-19H,2-7,10-13H2,1H3
InChIKeyGMYJWHBDTCEZFP-UHFFFAOYSA-N
XLogP5.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.48
LogP ≤ 55.86
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-(2-methylpyrazol-3-yl)phenyl]phosphane?
The IUPAC name of dicyclohexyl-[2-(2-methylpyrazol-3-yl)phenyl]phosphane (CID 164899486) is dicyclohexyl-[2-(2-methylpyrazol-3-yl)phenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-(2-methylpyrazol-3-yl)phenyl]phosphane?
The canonical SMILES for dicyclohexyl-[2-(2-methylpyrazol-3-yl)phenyl]phosphane is Cn1nccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[2-(2-methylpyrazol-3-yl)phenyl]phosphane?
The InChIKey is GMYJWHBDTCEZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N2P/c1-24-21(16-17-23-24)20-14-8-9-15-22(20)25(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h8-9,14-19H,2-7,10-13H2,1H3.
What are the key properties of dicyclohexyl-[2-(2-methylpyrazol-3-yl)phenyl]phosphane?
dicyclohexyl-[2-(2-methylpyrazol-3-yl)phenyl]phosphane has a molecular weight of 354.48 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2-methylpyrazol-3-yl)phenyl]phosphane is sourced from PubChem (CID 164899486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).