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

C14H13ClN4Pt — CID 59685664

IUPACchloroplatinum(1+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole
SMILESCl[Pt+].[c-]1c(Cn2cccn2)cccc1Cn1cccn1
InChIInChI=1S/C14H13N4.ClH.Pt/c1-4-13(11-17-8-2-6-15-17)10-14(5-1)12-18-9-3-7-16-18;;/h1-9H,11-12H2;1H;/q-1;;+2/p-1
InChIKeyNQXZRGCFUZEKRE-UHFFFAOYSA-M
MW467.82 g/mol
LogP2.66
Rot. Bonds4

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

chloroplatinum(1+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole (PubChem CID 59685664) has the molecular formula C14H13ClN4Pt and a molecular weight of 467.82 g/mol. Its IUPAC name is chloroplatinum(1+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole.

Molecular Properties

Compound Namechloroplatinum(1+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole
PubChem CID59685664
Molecular FormulaC14H13ClN4Pt
Molecular Weight467.82 g/mol
Exact Mass467.05
IUPAC Namechloroplatinum(1+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole
SMILESCl[Pt+].[c-]1c(Cn2cccn2)cccc1Cn1cccn1
InChIInChI=1S/C14H13N4.ClH.Pt/c1-4-13(11-17-8-2-6-15-17)10-14(5-1)12-18-9-3-7-16-18;;/h1-9H,11-12H2;1H;/q-1;;+2/p-1
InChIKeyNQXZRGCFUZEKRE-UHFFFAOYSA-M
XLogP2.66
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.82
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[5-Fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]methyl]pyrazole;iridium
CID 59757587
1-[(5-Fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;iridium
CID 58567829
Iridium;1-(1-phenylethenyl)pyrazole
CID 58991680
chloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole
CID 59685562
chloroplatinum(1+);1-methyl-5,7-bis(pyrazol-1-ylmethyl)-6H-pyrrolo[1,2-a]imidazol-6-ide
CID 59685596
iridium(3+);1-[[3-methyl-5-(pyrazol-1-ylmethyl)benzene-6-id-1-yl]methyl]pyrazole;1-[[3-methyl-5-(2H-pyrrol-2-id-1-ylmethyl)benzene-6-id-1-yl]methyl]pyrazole
CID 59685626
3,5-bis(pyrazol-1-ylmethyl)-4H-pyridin-4-ide;3-(pyrazol-1-ylmethyl)-5-(2H-pyrrol-2-id-1-ylmethyl)-4H-pyridin-4-ide;rhodium(3+)
CID 59685635
Bromoplatinum(1+);1-[2-[3-methyl-5-(2-pyrazol-1-ylpropan-2-yl)benzene-6-id-1-yl]propan-2-yl]pyrazole
CID 59685671
iridium(3+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole;1-[[3-(2H-pyrrol-2-id-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole
CID 59685709
3,5-bis(pyrazol-1-ylmethyl)-4H-pyridin-4-ide;iridium(3+);3-(pyrazol-1-ylmethyl)-5-(2H-pyrrol-2-id-1-ylmethyl)-4H-pyridin-4-ide
CID 59685717
1-[(2,5-Difluorobenzene-6-id-1-yl)methyl]pyrazole;iridium
CID 59757586
1-[(2,4-Difluorobenzene-6-id-1-yl)methyl]pyrazole;iridium
CID 59757600

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole?
The IUPAC name of chloroplatinum(1+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole (CID 59685664) is chloroplatinum(1+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole.
What is the SMILES notation for chloroplatinum(1+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole?
The canonical SMILES for chloroplatinum(1+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole is Cl[Pt+].[c-]1c(Cn2cccn2)cccc1Cn1cccn1.
What is the InChIKey of chloroplatinum(1+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole?
The InChIKey is NQXZRGCFUZEKRE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13N4.ClH.Pt/c1-4-13(11-17-8-2-6-15-17)10-14(5-1)12-18-9-3-7-16-18;;/h1-9H,11-12H2;1H;/q-1;;+2/p-1.
What are the key properties of chloroplatinum(1+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole?
chloroplatinum(1+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole has a molecular weight of 467.82 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole is sourced from PubChem (CID 59685664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).