chloroplatinum(1+);3,5-dimethyl-1-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]pyrazole

C15H15ClN4Pt — CID 58130228

IUPACchloroplatinum(1+);3,5-dimethyl-1-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]pyrazole
SMILESCc1cc(C)n(-c2[c-]c(-c3nccn3C)ccc2)n1.Cl[Pt+]
InChIInChI=1S/C15H15N4.ClH.Pt/c1-11-9-12(2)19(17-11)14-6-4-5-13(10-14)15-16-7-8-18(15)3;;/h4-9H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyMODGNLYDBJYQJT-UHFFFAOYSA-M
MW481.84 g/mol
LogP3.38
Rot. Bonds2

About chloroplatinum(1+);3,5-dimethyl-1-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]pyrazole

chloroplatinum(1+);3,5-dimethyl-1-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]pyrazole (PubChem CID 58130228) has the molecular formula C15H15ClN4Pt and a molecular weight of 481.84 g/mol. Its IUPAC name is chloroplatinum(1+);3,5-dimethyl-1-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]pyrazole.

Molecular Properties

Compound Namechloroplatinum(1+);3,5-dimethyl-1-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]pyrazole
PubChem CID58130228
Molecular FormulaC15H15ClN4Pt
Molecular Weight481.84 g/mol
Exact Mass481.06
IUPAC Namechloroplatinum(1+);3,5-dimethyl-1-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]pyrazole
SMILESCc1cc(C)n(-c2[c-]c(-c3nccn3C)ccc2)n1.Cl[Pt+]
InChIInChI=1S/C15H15N4.ClH.Pt/c1-11-9-12(2)19(17-11)14-6-4-5-13(10-14)15-16-7-8-18(15)3;;/h4-9H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyMODGNLYDBJYQJT-UHFFFAOYSA-M
XLogP3.38
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.84
LogP ≤ 53.38
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-[(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+);3,5-dimethyl-1-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]pyrazole?
The IUPAC name of chloroplatinum(1+);3,5-dimethyl-1-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]pyrazole (CID 58130228) is chloroplatinum(1+);3,5-dimethyl-1-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]pyrazole.
What is the SMILES notation for chloroplatinum(1+);3,5-dimethyl-1-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]pyrazole?
The canonical SMILES for chloroplatinum(1+);3,5-dimethyl-1-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]pyrazole is Cc1cc(C)n(-c2[c-]c(-c3nccn3C)ccc2)n1.Cl[Pt+].
What is the InChIKey of chloroplatinum(1+);3,5-dimethyl-1-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]pyrazole?
The InChIKey is MODGNLYDBJYQJT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15N4.ClH.Pt/c1-11-9-12(2)19(17-11)14-6-4-5-13(10-14)15-16-7-8-18(15)3;;/h4-9H,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of chloroplatinum(1+);3,5-dimethyl-1-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]pyrazole?
chloroplatinum(1+);3,5-dimethyl-1-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]pyrazole has a molecular weight of 481.84 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);3,5-dimethyl-1-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]pyrazole is sourced from PubChem (CID 58130228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).