bromoplatinum(1+);1-[2-[3-methyl-5-(2-pyrazol-1-ylpropan-2-yl)benzene-6-id-1-yl]propan-2-yl]pyrazole

C19H23BrN4Pt — CID 59685671

IUPACbromoplatinum(1+);1-[2-[3-methyl-5-(2-pyrazol-1-ylpropan-2-yl)benzene-6-id-1-yl]propan-2-yl]pyrazole
SMILESBr[Pt+].Cc1cc(C(C)(C)n2cccn2)[c-]c(C(C)(C)n2cccn2)c1
InChIInChI=1S/C19H23N4.BrH.Pt/c1-15-12-16(18(2,3)22-10-6-8-20-22)14-17(13-15)19(4,5)23-11-7-9-21-23;;/h6-13H,1-5H3;1H;/q-1;;+2/p-1
InChIKeyAKEMJWLXDZTXAR-UHFFFAOYSA-M
MW582.40 g/mol
LogP4.60
Rot. Bonds4

About bromoplatinum(1+);1-[2-[3-methyl-5-(2-pyrazol-1-ylpropan-2-yl)benzene-6-id-1-yl]propan-2-yl]pyrazole

bromoplatinum(1+);1-[2-[3-methyl-5-(2-pyrazol-1-ylpropan-2-yl)benzene-6-id-1-yl]propan-2-yl]pyrazole (PubChem CID 59685671) has the molecular formula C19H23BrN4Pt and a molecular weight of 582.40 g/mol. Its IUPAC name is bromoplatinum(1+);1-[2-[3-methyl-5-(2-pyrazol-1-ylpropan-2-yl)benzene-6-id-1-yl]propan-2-yl]pyrazole.

Molecular Properties

Compound Namebromoplatinum(1+);1-[2-[3-methyl-5-(2-pyrazol-1-ylpropan-2-yl)benzene-6-id-1-yl]propan-2-yl]pyrazole
PubChem CID59685671
Molecular FormulaC19H23BrN4Pt
Molecular Weight582.40 g/mol
Exact Mass581.08
IUPAC Namebromoplatinum(1+);1-[2-[3-methyl-5-(2-pyrazol-1-ylpropan-2-yl)benzene-6-id-1-yl]propan-2-yl]pyrazole
SMILESBr[Pt+].Cc1cc(C(C)(C)n2cccn2)[c-]c(C(C)(C)n2cccn2)c1
InChIInChI=1S/C19H23N4.BrH.Pt/c1-15-12-16(18(2,3)22-10-6-8-20-22)14-17(13-15)19(4,5)23-11-7-9-21-23;;/h6-13H,1-5H3;1H;/q-1;;+2/p-1
InChIKeyAKEMJWLXDZTXAR-UHFFFAOYSA-M
XLogP4.60
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.40
LogP ≤ 54.60
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

N-tert-butyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)
CID 58704299
Bis(1-[1,1-di(phenyl)ethyl]pyrazole);platinum(4+)
CID 58756167
chloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole
CID 59685562
Bromoplatinum(1+);1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole
CID 59685609
Chloroplatinum(1+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole
CID 59685664
Carbanide;ethane;methane;1-[3-[(3-methylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]pyrazole;platinum
CID 157389152
1-(3-Methyl-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole
CID 102034840

Frequently Asked Questions

What is the IUPAC name of bromoplatinum(1+);1-[2-[3-methyl-5-(2-pyrazol-1-ylpropan-2-yl)benzene-6-id-1-yl]propan-2-yl]pyrazole?
The IUPAC name of bromoplatinum(1+);1-[2-[3-methyl-5-(2-pyrazol-1-ylpropan-2-yl)benzene-6-id-1-yl]propan-2-yl]pyrazole (CID 59685671) is bromoplatinum(1+);1-[2-[3-methyl-5-(2-pyrazol-1-ylpropan-2-yl)benzene-6-id-1-yl]propan-2-yl]pyrazole.
What is the SMILES notation for bromoplatinum(1+);1-[2-[3-methyl-5-(2-pyrazol-1-ylpropan-2-yl)benzene-6-id-1-yl]propan-2-yl]pyrazole?
The canonical SMILES for bromoplatinum(1+);1-[2-[3-methyl-5-(2-pyrazol-1-ylpropan-2-yl)benzene-6-id-1-yl]propan-2-yl]pyrazole is Br[Pt+].Cc1cc(C(C)(C)n2cccn2)[c-]c(C(C)(C)n2cccn2)c1.
What is the InChIKey of bromoplatinum(1+);1-[2-[3-methyl-5-(2-pyrazol-1-ylpropan-2-yl)benzene-6-id-1-yl]propan-2-yl]pyrazole?
The InChIKey is AKEMJWLXDZTXAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H23N4.BrH.Pt/c1-15-12-16(18(2,3)22-10-6-8-20-22)14-17(13-15)19(4,5)23-11-7-9-21-23;;/h6-13H,1-5H3;1H;/q-1;;+2/p-1.
What are the key properties of bromoplatinum(1+);1-[2-[3-methyl-5-(2-pyrazol-1-ylpropan-2-yl)benzene-6-id-1-yl]propan-2-yl]pyrazole?
bromoplatinum(1+);1-[2-[3-methyl-5-(2-pyrazol-1-ylpropan-2-yl)benzene-6-id-1-yl]propan-2-yl]pyrazole has a molecular weight of 582.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromoplatinum(1+);1-[2-[3-methyl-5-(2-pyrazol-1-ylpropan-2-yl)benzene-6-id-1-yl]propan-2-yl]pyrazole is sourced from PubChem (CID 59685671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).