chloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole

C13H14ClN5Pt — CID 59685562

IUPACchloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole
SMILESCl[Pt+].Cn1cc(Cn2cccn2)[c-]c1Cn1cccn1
InChIInChI=1S/C13H14N5.ClH.Pt/c1-16-9-12(10-17-6-2-4-14-17)8-13(16)11-18-7-3-5-15-18;;/h2-7,9H,10-11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyDPPVZEHIPHOFDK-UHFFFAOYSA-M
MW470.82 g/mol
LogP2.00
Rot. Bonds4

About chloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole

chloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole (PubChem CID 59685562) has the molecular formula C13H14ClN5Pt and a molecular weight of 470.82 g/mol. Its IUPAC name is chloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole.

Molecular Properties

Compound Namechloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole
PubChem CID59685562
Molecular FormulaC13H14ClN5Pt
Molecular Weight470.82 g/mol
Exact Mass470.06
IUPAC Namechloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole
SMILESCl[Pt+].Cn1cc(Cn2cccn2)[c-]c1Cn1cccn1
InChIInChI=1S/C13H14N5.ClH.Pt/c1-16-9-12(10-17-6-2-4-14-17)8-13(16)11-18-7-3-5-15-18;;/h2-7,9H,10-11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyDPPVZEHIPHOFDK-UHFFFAOYSA-M
XLogP2.00
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.82
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Iridium;1-(1-phenylethenyl)pyrazole
CID 58991680
chloroplatinum(1+);1-methyl-5,7-bis(pyrazol-1-ylmethyl)-6H-pyrrolo[1,2-a]imidazol-6-ide
CID 59685596
iridium(3+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole;1-[[1-methyl-2-(2H-pyrrol-2-id-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole
CID 59685649
Chloroplatinum(1+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole
CID 59685664
Bromoplatinum(1+);1-[2-[3-methyl-5-(2-pyrazol-1-ylpropan-2-yl)benzene-6-id-1-yl]propan-2-yl]pyrazole
CID 59685671
2,6-bis(pyrazol-1-ylmethyl)-2H-pyridin-1-ide;dichlorozinc
CID 5248117
dichloro(dimethyl)stannane;2-(pyrazol-1-ylmethyl)-2H-pyridin-1-ide
CID 5252496
2,6-bis(pyrazol-1-ylmethyl)-2H-pyridin-1-ide;dichlorozinc
CID 50922366
1-(3-Methyl-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole
CID 102034840

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole?
The IUPAC name of chloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole (CID 59685562) is chloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole.
What is the SMILES notation for chloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole?
The canonical SMILES for chloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole is Cl[Pt+].Cn1cc(Cn2cccn2)[c-]c1Cn1cccn1.
What is the InChIKey of chloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole?
The InChIKey is DPPVZEHIPHOFDK-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H14N5.ClH.Pt/c1-16-9-12(10-17-6-2-4-14-17)8-13(16)11-18-7-3-5-15-18;;/h2-7,9H,10-11H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of chloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole?
chloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole has a molecular weight of 470.82 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole is sourced from PubChem (CID 59685562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).