chloroplatinum(1+);3-(3,5-dimethylpyrazol-1-yl)-5-(1-methylimidazol-2-yl)-4H-pyridin-4-ide

C14H14ClN5Pt — CID 58130233

IUPACchloroplatinum(1+);3-(3,5-dimethylpyrazol-1-yl)-5-(1-methylimidazol-2-yl)-4H-pyridin-4-ide
SMILESCc1cc(C)n(-c2[c-]c(-c3nccn3C)cnc2)n1.Cl[Pt+]
InChIInChI=1S/C14H14N5.ClH.Pt/c1-10-6-11(2)19(17-10)13-7-12(8-15-9-13)14-16-4-5-18(14)3;;/h4-6,8-9H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyPWBMGQJCBFJDMB-UHFFFAOYSA-M
MW482.83 g/mol
LogP2.77
Rot. Bonds2

About chloroplatinum(1+);3-(3,5-dimethylpyrazol-1-yl)-5-(1-methylimidazol-2-yl)-4H-pyridin-4-ide

chloroplatinum(1+);3-(3,5-dimethylpyrazol-1-yl)-5-(1-methylimidazol-2-yl)-4H-pyridin-4-ide (PubChem CID 58130233) has the molecular formula C14H14ClN5Pt and a molecular weight of 482.83 g/mol. Its IUPAC name is chloroplatinum(1+);3-(3,5-dimethylpyrazol-1-yl)-5-(1-methylimidazol-2-yl)-4H-pyridin-4-ide.

Molecular Properties

Compound Namechloroplatinum(1+);3-(3,5-dimethylpyrazol-1-yl)-5-(1-methylimidazol-2-yl)-4H-pyridin-4-ide
PubChem CID58130233
Molecular FormulaC14H14ClN5Pt
Molecular Weight482.83 g/mol
Exact Mass482.06
IUPAC Namechloroplatinum(1+);3-(3,5-dimethylpyrazol-1-yl)-5-(1-methylimidazol-2-yl)-4H-pyridin-4-ide
SMILESCc1cc(C)n(-c2[c-]c(-c3nccn3C)cnc2)n1.Cl[Pt+]
InChIInChI=1S/C14H14N5.ClH.Pt/c1-10-6-11(2)19(17-10)13-7-12(8-15-9-13)14-16-4-5-18(14)3;;/h4-6,8-9H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyPWBMGQJCBFJDMB-UHFFFAOYSA-M
XLogP2.77
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.83
LogP ≤ 52.77
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

1-[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazole
CID 72866156
3-(Imidazol-1-ylmethyl)-1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 97519203
1-[(3S)-1-[2-(2-ethylimidazol-1-yl)ethyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
CID 124758605
6-(3,5-Dimethylpyrazol-1-yl)-3-(trifluoromethyl)imidazo[2,1-c][1,2,4]triazol-7-ide
CID 22090567
2-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum
CID 140820600
5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;platinum
CID 146899307
Iridium(3+);1-methyl-2-phenyl-4-(trifluoromethyl)imidazole;propan-2-yl-[propan-2-ylazanidyl-[3-(trifluoromethyl)pyrazol-1-yl]methyl]azanide
CID 153420851
1-(1-Methylimidazol-2-yl)methyl-3,5-dimethylpyrazole
CID 63812081
3,5-Dimethyl-1-[[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazole
CID 53627409
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole
CID 63810301
4-(1-methyl-1H-imidazol-2-yl)-1-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1H-1,2,3-triazole
CID 72864490
3,5-dimethyl-1-[[(2S)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]methyl]pyrazole
CID 95354838

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);3-(3,5-dimethylpyrazol-1-yl)-5-(1-methylimidazol-2-yl)-4H-pyridin-4-ide?
The IUPAC name of chloroplatinum(1+);3-(3,5-dimethylpyrazol-1-yl)-5-(1-methylimidazol-2-yl)-4H-pyridin-4-ide (CID 58130233) is chloroplatinum(1+);3-(3,5-dimethylpyrazol-1-yl)-5-(1-methylimidazol-2-yl)-4H-pyridin-4-ide.
What is the SMILES notation for chloroplatinum(1+);3-(3,5-dimethylpyrazol-1-yl)-5-(1-methylimidazol-2-yl)-4H-pyridin-4-ide?
The canonical SMILES for chloroplatinum(1+);3-(3,5-dimethylpyrazol-1-yl)-5-(1-methylimidazol-2-yl)-4H-pyridin-4-ide is Cc1cc(C)n(-c2[c-]c(-c3nccn3C)cnc2)n1.Cl[Pt+].
What is the InChIKey of chloroplatinum(1+);3-(3,5-dimethylpyrazol-1-yl)-5-(1-methylimidazol-2-yl)-4H-pyridin-4-ide?
The InChIKey is PWBMGQJCBFJDMB-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14N5.ClH.Pt/c1-10-6-11(2)19(17-10)13-7-12(8-15-9-13)14-16-4-5-18(14)3;;/h4-6,8-9H,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of chloroplatinum(1+);3-(3,5-dimethylpyrazol-1-yl)-5-(1-methylimidazol-2-yl)-4H-pyridin-4-ide?
chloroplatinum(1+);3-(3,5-dimethylpyrazol-1-yl)-5-(1-methylimidazol-2-yl)-4H-pyridin-4-ide has a molecular weight of 482.83 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);3-(3,5-dimethylpyrazol-1-yl)-5-(1-methylimidazol-2-yl)-4H-pyridin-4-ide is sourced from PubChem (CID 58130233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).