bromoplatinum(1+);1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole

C23H27BrN4Pt — CID 59685609

IUPACbromoplatinum(1+);1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole
SMILESBr[Pt+].Cc1cc(C2(n3cccn3)CCCC2)[c-]c(C2(n3cccn3)CCCC2)c1
InChIInChI=1S/C23H27N4.BrH.Pt/c1-19-16-20(22(8-2-3-9-22)26-14-6-12-24-26)18-21(17-19)23(10-4-5-11-23)27-15-7-13-25-27;;/h6-7,12-17H,2-5,8-11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyNWPKYKFXSVHHFC-UHFFFAOYSA-M
MW634.48 g/mol
LogP5.67
Rot. Bonds4

About bromoplatinum(1+);1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole

bromoplatinum(1+);1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole (PubChem CID 59685609) has the molecular formula C23H27BrN4Pt and a molecular weight of 634.48 g/mol. Its IUPAC name is bromoplatinum(1+);1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole.

Molecular Properties

Compound Namebromoplatinum(1+);1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole
PubChem CID59685609
Molecular FormulaC23H27BrN4Pt
Molecular Weight634.48 g/mol
Exact Mass633.11
IUPAC Namebromoplatinum(1+);1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole
SMILESBr[Pt+].Cc1cc(C2(n3cccn3)CCCC2)[c-]c(C2(n3cccn3)CCCC2)c1
InChIInChI=1S/C23H27N4.BrH.Pt/c1-19-16-20(22(8-2-3-9-22)26-14-6-12-24-26)18-21(17-19)23(10-4-5-11-23)27-15-7-13-25-27;;/h6-7,12-17H,2-5,8-11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyNWPKYKFXSVHHFC-UHFFFAOYSA-M
XLogP5.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.48
LogP ≤ 55.67
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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Frequently Asked Questions

What is the IUPAC name of bromoplatinum(1+);1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole?
The IUPAC name of bromoplatinum(1+);1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole (CID 59685609) is bromoplatinum(1+);1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole.
What is the SMILES notation for bromoplatinum(1+);1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole?
The canonical SMILES for bromoplatinum(1+);1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole is Br[Pt+].Cc1cc(C2(n3cccn3)CCCC2)[c-]c(C2(n3cccn3)CCCC2)c1.
What is the InChIKey of bromoplatinum(1+);1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole?
The InChIKey is NWPKYKFXSVHHFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H27N4.BrH.Pt/c1-19-16-20(22(8-2-3-9-22)26-14-6-12-24-26)18-21(17-19)23(10-4-5-11-23)27-15-7-13-25-27;;/h6-7,12-17H,2-5,8-11H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromoplatinum(1+);1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole?
bromoplatinum(1+);1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole has a molecular weight of 634.48 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromoplatinum(1+);1-[1-[3-methyl-5-(1-pyrazol-1-ylcyclopentyl)benzene-6-id-1-yl]cyclopentyl]pyrazole is sourced from PubChem (CID 59685609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).