methyl-bis[2-(5-methyl-1H-pyrazol-3-yl)phenyl]phosphane

C21H21N4P — CID 59804973

IUPACmethyl-bis[2-(5-methyl-1H-pyrazol-3-yl)phenyl]phosphane
SMILESCc1cc(-c2ccccc2P(C)c2ccccc2-c2cc(C)[nH]n2)n[nH]1
InChIInChI=1S/C21H21N4P/c1-14-12-18(24-22-14)16-8-4-6-10-20(16)26(3)21-11-7-5-9-17(21)19-13-15(2)23-25-19/h4-13H,1-3H3,(H,22,24)(H,23,25)
InChIKeyDDXDNRLACSERDV-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.15
Rot. Bonds4

About methyl-bis[2-(5-methyl-1H-pyrazol-3-yl)phenyl]phosphane

methyl-bis[2-(5-methyl-1H-pyrazol-3-yl)phenyl]phosphane (PubChem CID 59804973) has the molecular formula C21H21N4P and a molecular weight of 360.40 g/mol. Its IUPAC name is methyl-bis[2-(5-methyl-1H-pyrazol-3-yl)phenyl]phosphane.

Molecular Properties

Compound Namemethyl-bis[2-(5-methyl-1H-pyrazol-3-yl)phenyl]phosphane
PubChem CID59804973
Molecular FormulaC21H21N4P
Molecular Weight360.40 g/mol
Exact Mass360.15
IUPAC Namemethyl-bis[2-(5-methyl-1H-pyrazol-3-yl)phenyl]phosphane
SMILESCc1cc(-c2ccccc2P(C)c2ccccc2-c2cc(C)[nH]n2)n[nH]1
InChIInChI=1S/C21H21N4P/c1-14-12-18(24-22-14)16-8-4-6-10-20(16)26(3)21-11-7-5-9-17(21)19-13-15(2)23-25-19/h4-13H,1-3H3,(H,22,24)(H,23,25)
InChIKeyDDXDNRLACSERDV-UHFFFAOYSA-N
XLogP4.15
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
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 methyl-bis[2-(5-methyl-1H-pyrazol-3-yl)phenyl]phosphane?
The IUPAC name of methyl-bis[2-(5-methyl-1H-pyrazol-3-yl)phenyl]phosphane (CID 59804973) is methyl-bis[2-(5-methyl-1H-pyrazol-3-yl)phenyl]phosphane.
What is the SMILES notation for methyl-bis[2-(5-methyl-1H-pyrazol-3-yl)phenyl]phosphane?
The canonical SMILES for methyl-bis[2-(5-methyl-1H-pyrazol-3-yl)phenyl]phosphane is Cc1cc(-c2ccccc2P(C)c2ccccc2-c2cc(C)[nH]n2)n[nH]1.
What is the InChIKey of methyl-bis[2-(5-methyl-1H-pyrazol-3-yl)phenyl]phosphane?
The InChIKey is DDXDNRLACSERDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N4P/c1-14-12-18(24-22-14)16-8-4-6-10-20(16)26(3)21-11-7-5-9-17(21)19-13-15(2)23-25-19/h4-13H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of methyl-bis[2-(5-methyl-1H-pyrazol-3-yl)phenyl]phosphane?
methyl-bis[2-(5-methyl-1H-pyrazol-3-yl)phenyl]phosphane has a molecular weight of 360.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis[2-(5-methyl-1H-pyrazol-3-yl)phenyl]phosphane is sourced from PubChem (CID 59804973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).