bis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride

C19H21ClF3N7Pt — CID 139141458

IUPACbis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride
SMILESCc1cc(C)[nH]n1.Cc1cc(C)[nH]n1.FC(F)(F)c1cc(-c2ccccn2)n[n-]1.[Cl-].[Pt+2]
InChIInChI=1S/C9H5F3N3.2C5H8N2.ClH.Pt/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-4-3-5(2)7-6-4;;/h1-5H;2*3H,1-2H3,(H,6,7);1H;/q-1;;;;+2/p-1
InChIKeySZLGMXROIKDMOI-UHFFFAOYSA-M
MW634.95 g/mol
LogP1.17
Rot. Bonds1

About bis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride

bis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride (PubChem CID 139141458) has the molecular formula C19H21ClF3N7Pt and a molecular weight of 634.95 g/mol. Its IUPAC name is bis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride.

Molecular Properties

Compound Namebis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride
PubChem CID139141458
Molecular FormulaC19H21ClF3N7Pt
Molecular Weight634.95 g/mol
Exact Mass634.11
IUPAC Namebis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride
SMILESCc1cc(C)[nH]n1.Cc1cc(C)[nH]n1.FC(F)(F)c1cc(-c2ccccn2)n[n-]1.[Cl-].[Pt+2]
InChIInChI=1S/C9H5F3N3.2C5H8N2.ClH.Pt/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-4-3-5(2)7-6-4;;/h1-5H;2*3H,1-2H3,(H,6,7);1H;/q-1;;;;+2/p-1
InChIKeySZLGMXROIKDMOI-UHFFFAOYSA-M
XLogP1.17
TPSA97.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.95
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(5-pyridin-2-yl-1H-pyrazol-3-yl)-2H-pyrazol-3-yl]pyridine
CID 340685
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CID 139131682
3,5-Bis(trifluoromethyl)pyrazol-1-ide;platinum(2+);2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131685
Bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
CID 139138252
manganese(2+);bis(2-(1H-pyrazol-3-yl)pyridine);bis(trifluoromethanesulfonate)
CID 139167154
Carbanide;chloroiridium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807346
2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807353
1-(2,4-Difluorobenzene-6-id-1-yl)pyrazole;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57525990
Iridium;1-phenylpyrazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57525998
Iridium;1-(3-methylbenzene-6-id-1-yl)pyrazole;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57526001
Bis(3,5-dimethylpyrazol-1-ide);bis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772371
Bis(3,5-dimethylpyrazol-1-ide);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772374

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride?
The IUPAC name of bis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride (CID 139141458) is bis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride.
What is the SMILES notation for bis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride?
The canonical SMILES for bis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride is Cc1cc(C)[nH]n1.Cc1cc(C)[nH]n1.FC(F)(F)c1cc(-c2ccccn2)n[n-]1.[Cl-].[Pt+2].
What is the InChIKey of bis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride?
The InChIKey is SZLGMXROIKDMOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H5F3N3.2C5H8N2.ClH.Pt/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-4-3-5(2)7-6-4;;/h1-5H;2*3H,1-2H3,(H,6,7);1H;/q-1;;;;+2/p-1.
What are the key properties of bis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride?
bis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride has a molecular weight of 634.95 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethyl-1H-pyrazole);platinum(2+);2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;chloride is sourced from PubChem (CID 139141458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).