tris(2-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);2-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(2-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrimidine);bis(2-(3-ethylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-phenylpyrazol-1-id-5-yl)pyrimidine);pentakis(platinum(2+))

C112H115F3N40Pt5 — CID 160548579

IUPACtris(2-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);2-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(2-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrimidine);bis(2-(3-ethylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-phenylpyrazol-1-id-5-yl)pyrimidine);pentakis(platinum(2+))
SMILESCC(C)(C)c1n[n-]c(-c2ncccn2)c1C(F)(F)F.CCc1cc(-c2ncccn2)[n-]n1.CCc1cc(-c2ncccn2)[n-]n1.CCc1n[n-]c(-c2ncccn2)c1C.CCc1n[n-]c(-c2ncccn2)c1C.Cc1c(C(C)(C)C)n[n-]c1-c1ncccn1.Cc1c(C(C)(C)C)n[n-]c1-c1ncccn1.Cc1c(C(C)(C)C)n[n-]c1-c1ncccn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].c1ccc(-c2cc(-c3ncccn3)[n-]n2)cc1.c1ccc(-c2cc(-c3ncccn3)[n-]n2)cc1
InChIInChI=1S/2C13H9N4.C12H12F3N4.3C12H15N4.2C10H11N4.2C9H9N4.5Pt/c2*1-2-5-10(6-3-1)11-9-12(17-16-11)13-14-7-4-8-15-13;1-11(2,3)9-7(12(13,14)15)8(18-19-9)10-16-5-4-6-17-10;3*1-8-9(11-13-6-5-7-14-11)15-16-10(8)12(2,3)4;2*1-3-8-7(2)9(14-13-8)10-11-5-4-6-12-10;2*1-2-7-6-8(13-12-7)9-10-4-3-5-11-9;;;;;/h2*1-9H;4-6H,1-3H3;3*5-7H,1-4H3;2*4-6H,3H2,1-2H3;2*3-6H,2H2,1H3;;;;;/q10*-1;5*+2
InChIKeyQXTIWKKEQJTAAF-UHFFFAOYSA-N
MW3053.82 g/mol
LogP18.28
Rot. Bonds16

About tris(2-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);2-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(2-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrimidine);bis(2-(3-ethylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-phenylpyrazol-1-id-5-yl)pyrimidine);pentakis(platinum(2+))

tris(2-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);2-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(2-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrimidine);bis(2-(3-ethylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-phenylpyrazol-1-id-5-yl)pyrimidine);pentakis(platinum(2+)) (PubChem CID 160548579) has the molecular formula C112H115F3N40Pt5 and a molecular weight of 3053.82 g/mol. Its IUPAC name is tris(2-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);2-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(2-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrimidine);bis(2-(3-ethylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-phenylpyrazol-1-id-5-yl)pyrimidine);pentakis(platinum(2+)).

Molecular Properties

Compound Nametris(2-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);2-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(2-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrimidine);bis(2-(3-ethylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-phenylpyrazol-1-id-5-yl)pyrimidine);pentakis(platinum(2+))
PubChem CID160548579
Molecular FormulaC112H115F3N40Pt5
Molecular Weight3053.82 g/mol
Exact Mass3051.84
IUPAC Nametris(2-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);2-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(2-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrimidine);bis(2-(3-ethylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-phenylpyrazol-1-id-5-yl)pyrimidine);pentakis(platinum(2+))
SMILESCC(C)(C)c1n[n-]c(-c2ncccn2)c1C(F)(F)F.CCc1cc(-c2ncccn2)[n-]n1.CCc1cc(-c2ncccn2)[n-]n1.CCc1n[n-]c(-c2ncccn2)c1C.CCc1n[n-]c(-c2ncccn2)c1C.Cc1c(C(C)(C)C)n[n-]c1-c1ncccn1.Cc1c(C(C)(C)C)n[n-]c1-c1ncccn1.Cc1c(C(C)(C)C)n[n-]c1-c1ncccn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].c1ccc(-c2cc(-c3ncccn3)[n-]n2)cc1.c1ccc(-c2cc(-c3ncccn3)[n-]n2)cc1
InChIInChI=1S/2C13H9N4.C12H12F3N4.3C12H15N4.2C10H11N4.2C9H9N4.5Pt/c2*1-2-5-10(6-3-1)11-9-12(17-16-11)13-14-7-4-8-15-13;1-11(2,3)9-7(12(13,14)15)8(18-19-9)10-16-5-4-6-17-10;3*1-8-9(11-13-6-5-7-14-11)15-16-10(8)12(2,3)4;2*1-3-8-7(2)9(14-13-8)10-11-5-4-6-12-10;2*1-2-7-6-8(13-12-7)9-10-4-3-5-11-9;;;;;/h2*1-9H;4-6H,1-3H3;3*5-7H,1-4H3;2*4-6H,3H2,1-2H3;2*3-6H,2H2,1H3;;;;;/q10*-1;5*+2
InChIKeyQXTIWKKEQJTAAF-UHFFFAOYSA-N
XLogP18.28
TPSA527.70 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds16
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003053.82
LogP ≤ 518.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze tris(2-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);2-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(2-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrimidine);bis(2-(3-ethylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-phenylpyrazol-1-id-5-yl)pyrimidine);pentakis(platinum(2+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butylpyridine;3-[2-(3-phenylpyrazol-1-id-5-yl)pyrimidin-4-yl]indazol-2-ide;platinum(2+)
CID 156661508
2-(5-ethyl-4-methylpyrazol-2-id-3-yl)-6-[2-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]phenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[2-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]phenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]pyridine;tetrakis(platinum(2+));3-[6-[2-[6-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazol-2-ide
CID 159944813
4-tert-butylpyridine;3-[6-(3-phenylpyrazol-1-id-5-yl)pyrazin-2-yl]indazol-2-ide;platinum(2+)
CID 156661705
2-(3-tert-butylpyrazol-1-id-5-yl)-6-(3-phenylpyrazol-1-id-5-yl)pyrazine;4-tert-butylpyridine;platinum(2+)
CID 169026666
2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine
CID 158200030
2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;iridium;pyridine-2-carboxylic acid
CID 23568218
bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
CID 140775460
tris(gold(1+));bis(3-methyl-5-phenylpyrazol-1-ide);5-methyl-3-phenylpyrazol-1-ide;oxolane
CID 139136608
3-(4-tert-butylbenzene-6-id-1-yl)-6-methoxypyridazine;2-(3-phenylpyrazol-1-id-5-yl)pyridine;platinum(2+)
CID 168793706
zinc;carbanide;2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 156628337
3-tert-butyl-2-ethylpyridine
CID 20664467
2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-2-pyridinyl)phenyl]phenyl]phenyl]pyrimidine
CID 129292620

Frequently Asked Questions

What is the IUPAC name of tris(2-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);2-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(2-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrimidine);bis(2-(3-ethylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-phenylpyrazol-1-id-5-yl)pyrimidine);pentakis(platinum(2+))?
The IUPAC name of tris(2-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);2-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(2-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrimidine);bis(2-(3-ethylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-phenylpyrazol-1-id-5-yl)pyrimidine);pentakis(platinum(2+)) (CID 160548579) is tris(2-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);2-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(2-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrimidine);bis(2-(3-ethylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-phenylpyrazol-1-id-5-yl)pyrimidine);pentakis(platinum(2+)).
What is the SMILES notation for tris(2-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);2-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(2-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrimidine);bis(2-(3-ethylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-phenylpyrazol-1-id-5-yl)pyrimidine);pentakis(platinum(2+))?
The canonical SMILES for tris(2-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);2-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(2-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrimidine);bis(2-(3-ethylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-phenylpyrazol-1-id-5-yl)pyrimidine);pentakis(platinum(2+)) is CC(C)(C)c1n[n-]c(-c2ncccn2)c1C(F)(F)F.CCc1cc(-c2ncccn2)[n-]n1.CCc1cc(-c2ncccn2)[n-]n1.CCc1n[n-]c(-c2ncccn2)c1C.CCc1n[n-]c(-c2ncccn2)c1C.Cc1c(C(C)(C)C)n[n-]c1-c1ncccn1.Cc1c(C(C)(C)C)n[n-]c1-c1ncccn1.Cc1c(C(C)(C)C)n[n-]c1-c1ncccn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].c1ccc(-c2cc(-c3ncccn3)[n-]n2)cc1.c1ccc(-c2cc(-c3ncccn3)[n-]n2)cc1.
What is the InChIKey of tris(2-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);2-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(2-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrimidine);bis(2-(3-ethylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-phenylpyrazol-1-id-5-yl)pyrimidine);pentakis(platinum(2+))?
The InChIKey is QXTIWKKEQJTAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9N4.C12H12F3N4.3C12H15N4.2C10H11N4.2C9H9N4.5Pt/c2*1-2-5-10(6-3-1)11-9-12(17-16-11)13-14-7-4-8-15-13;1-11(2,3)9-7(12(13,14)15)8(18-19-9)10-16-5-4-6-17-10;3*1-8-9(11-13-6-5-7-14-11)15-16-10(8)12(2,3)4;2*1-3-8-7(2)9(14-13-8)10-11-5-4-6-12-10;2*1-2-7-6-8(13-12-7)9-10-4-3-5-11-9;;;;;/h2*1-9H;4-6H,1-3H3;3*5-7H,1-4H3;2*4-6H,3H2,1-2H3;2*3-6H,2H2,1H3;;;;;/q10*-1;5*+2.
What are the key properties of tris(2-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);2-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(2-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrimidine);bis(2-(3-ethylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-phenylpyrazol-1-id-5-yl)pyrimidine);pentakis(platinum(2+))?
tris(2-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);2-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(2-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrimidine);bis(2-(3-ethylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-phenylpyrazol-1-id-5-yl)pyrimidine);pentakis(platinum(2+)) has a molecular weight of 3053.82 g/mol, XLogP of 18.28, 16 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);2-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(2-(5-ethyl-4-methylpyrazol-2-id-3-yl)pyrimidine);bis(2-(3-ethylpyrazol-1-id-5-yl)pyrimidine);bis(2-(3-phenylpyrazol-1-id-5-yl)pyrimidine);pentakis(platinum(2+)) is sourced from PubChem (CID 160548579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).