(2-methylpyrazol-3-yl)methyl-triphenylphosphanium

C23H22N2P+ — CID 86032057

IUPAC(2-methylpyrazol-3-yl)methyl-triphenylphosphanium
SMILESCn1nccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2P/c1-25-20(17-18-24-25)19-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-18H,19H2,1H3/q+1
InChIKeyFFLBVRKTEYIWSS-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.91
Rot. Bonds5

About (2-methylpyrazol-3-yl)methyl-triphenylphosphanium

(2-methylpyrazol-3-yl)methyl-triphenylphosphanium (PubChem CID 86032057) has the molecular formula C23H22N2P+ and a molecular weight of 357.42 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)methyl-triphenylphosphanium
PubChem CID86032057
Molecular FormulaC23H22N2P+
Molecular Weight357.42 g/mol
Exact Mass357.15
IUPAC Name(2-methylpyrazol-3-yl)methyl-triphenylphosphanium
SMILESCn1nccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2P/c1-25-20(17-18-24-25)19-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-18H,19H2,1H3/q+1
InChIKeyFFLBVRKTEYIWSS-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine
CID 114553831
N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 63011246
2-[(2-methylpyrazol-3-yl)methyl]butanoic acid
CID 83828502
(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl-triphenylphosphanium chloride
CID 86610161
1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
CID 103009511
3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024676
5-(bromomethyl)-1-methylpyrazole
CID 59589503
5-(iodomethyl)-1-methylpyrazole
CID 126698907
triphenyl(trimethylsilylmethyl)phosphanium chloride
CID 86227333
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide
CID 103006482
2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119291636

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)methyl-triphenylphosphanium?
The IUPAC name of (2-methylpyrazol-3-yl)methyl-triphenylphosphanium (CID 86032057) is (2-methylpyrazol-3-yl)methyl-triphenylphosphanium.
What is the SMILES notation for (2-methylpyrazol-3-yl)methyl-triphenylphosphanium?
The canonical SMILES for (2-methylpyrazol-3-yl)methyl-triphenylphosphanium is Cn1nccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-methylpyrazol-3-yl)methyl-triphenylphosphanium?
The InChIKey is FFLBVRKTEYIWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2P/c1-25-20(17-18-24-25)19-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-18H,19H2,1H3/q+1.
What are the key properties of (2-methylpyrazol-3-yl)methyl-triphenylphosphanium?
(2-methylpyrazol-3-yl)methyl-triphenylphosphanium has a molecular weight of 357.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)methyl-triphenylphosphanium is sourced from PubChem (CID 86032057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).