4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;palladium;phenol

C21H21N4OPd- — CID 59685721

IUPAC4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;palladium;phenol
SMILESCc1cc(Cn2[c-]ccc2)nc(Cn2cccn2)c1.Oc1ccccc1.[Pd]
InChIInChI=1S/C15H15N4.C6H6O.Pd/c1-13-9-14(11-18-6-2-3-7-18)17-15(10-13)12-19-8-4-5-16-19;7-6-4-2-1-3-5-6;/h2-6,8-10H,11-12H2,1H3;1-5,7H;/q-1;;
InChIKeySYDSFLMXGGSRES-UHFFFAOYSA-N
MW451.85 g/mol
LogP3.67
Rot. Bonds4

About 4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;palladium;phenol

4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;palladium;phenol (PubChem CID 59685721) has the molecular formula C21H21N4OPd- and a molecular weight of 451.85 g/mol. Its IUPAC name is 4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;palladium;phenol.

Molecular Properties

Compound Name4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;palladium;phenol
PubChem CID59685721
Molecular FormulaC21H21N4OPd-
Molecular Weight451.85 g/mol
Exact Mass451.08
IUPAC Name4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;palladium;phenol
SMILESCc1cc(Cn2[c-]ccc2)nc(Cn2cccn2)c1.Oc1ccccc1.[Pd]
InChIInChI=1S/C15H15N4.C6H6O.Pd/c1-13-9-14(11-18-6-2-3-7-18)17-15(10-13)12-19-8-4-5-16-19;7-6-4-2-1-3-5-6;/h2-6,8-10H,11-12H2,1H3;1-5,7H;/q-1;;
InChIKeySYDSFLMXGGSRES-UHFFFAOYSA-N
XLogP3.67
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.85
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

chloropalladium(1+);bis(4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine);palladium;phenol
CID 161033961
fluoroplatinum(1+);4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine
CID 59685581
4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium
CID 59685583
4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine
CID 59685582
2,6-bis(pyrazol-1-ylmethyl)pyridine
CID 12975814
3-(pyrazol-1-ylmethyl)phenol
CID 24745197
2,6-bis[(5-methyl-2H-pyrrol-2-id-1-yl)methyl]pyridine;iridium(3+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole
CID 59685631
ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole
CID 176952887
N-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106907352
1-(3,5-dimethylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea
CID 17284941
bis(bromoplatinum(1+));chloroplatinum(1+);4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole;4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;naphthalen-1-ol;phenol;2-(phenylmethyl)-6-(pyrazol-1-ylmethyl)pyridine;platinum;platinum(2+);1-[[3-(pyrazol-1-ylmethyl)-2,9b-dihydrophenalen-2-id-1-yl]methyl]pyrazole;2-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyridine;2-(pyridin-2-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;1-[[3-(1,2,4-triazol-1-ylmethyl)-2H-naphthalen-2-id-1-yl]methyl]-1,2,4-triazole;triphenylphosphanium
CID 159701182
1-benzyl-4-(pyrazol-1-ylmethyl)triazole
CID 102307082

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;palladium;phenol?
The IUPAC name of 4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;palladium;phenol (CID 59685721) is 4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;palladium;phenol.
What is the SMILES notation for 4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;palladium;phenol?
The canonical SMILES for 4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;palladium;phenol is Cc1cc(Cn2[c-]ccc2)nc(Cn2cccn2)c1.Oc1ccccc1.[Pd].
What is the InChIKey of 4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;palladium;phenol?
The InChIKey is SYDSFLMXGGSRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N4.C6H6O.Pd/c1-13-9-14(11-18-6-2-3-7-18)17-15(10-13)12-19-8-4-5-16-19;7-6-4-2-1-3-5-6;/h2-6,8-10H,11-12H2,1H3;1-5,7H;/q-1;;.
What are the key properties of 4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;palladium;phenol?
4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;palladium;phenol has a molecular weight of 451.85 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;palladium;phenol is sourced from PubChem (CID 59685721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).