4-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(4-(3,4-ditert-butylpyrazol-1-id-5-yl)pyrimidine);4-(4,5-dimethylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-(5-methylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;pentakis(platinum(2+))

C114H126F12N40Pt5 — CID 160943862

IUPAC4-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(4-(3,4-ditert-butylpyrazol-1-id-5-yl)pyrimidine);4-(4,5-dimethylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-(5-methylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;pentakis(platinum(2+))
SMILESCC(C)(C)c1n[n-]c(-c2ccncn2)c1C(C)(C)C.CC(C)(C)c1n[n-]c(-c2ccncn2)c1C(C)(C)C.CC(C)(C)c1n[n-]c(-c2ccncn2)c1C(F)(F)F.Cc1c(C(C)(C)C)n[n-]c1-c1ccncn1.Cc1c(C(C)(C)C)n[n-]c1-c1ccncn1.Cc1c(C(C)(C)C)n[n-]c1-c1ccncn1.Cc1cc(-c2ccnc(C)n2)[n-]n1.Cc1n[n-]c(-c2ccncn2)c1C.Cc1nccc(-c2cc(C(F)(F)F)n[n-]2)n1.FC(F)(F)c1n[n-]c(-c2ccncn2)c1C(F)(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C15H21N4.C12H12F3N4.3C12H15N4.C9H3F6N4.C9H6F3N4.2C9H9N4.5Pt/c2*1-14(2,3)11-12(10-7-8-16-9-17-10)18-19-13(11)15(4,5)6;1-11(2,3)10-8(12(13,14)15)9(18-19-10)7-4-5-16-6-17-7;3*1-8-10(9-5-6-13-7-14-9)15-16-11(8)12(2,3)4;10-8(11,12)5-6(4-1-2-16-3-17-4)18-19-7(5)9(13,14)15;1-5-13-3-2-6(14-5)7-4-8(16-15-7)9(10,11)12;1-6-7(2)12-13-9(6)8-3-4-10-5-11-8;1-6-5-9(13-12-6)8-3-4-10-7(2)11-8;;;;;/h2*7-9H,1-6H3;4-6H,1-3H3;3*5-7H,1-4H3;1-3H;2-4H,1H3;2*3-5H,1-2H3;;;;;/q10*-1;5*+2
InChIKeySUVXTVOWWHZKCN-UHFFFAOYSA-N
MW3259.91 g/mol
LogP21.87
Rot. Bonds10

About 4-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(4-(3,4-ditert-butylpyrazol-1-id-5-yl)pyrimidine);4-(4,5-dimethylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-(5-methylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;pentakis(platinum(2+))

4-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(4-(3,4-ditert-butylpyrazol-1-id-5-yl)pyrimidine);4-(4,5-dimethylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-(5-methylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;pentakis(platinum(2+)) (PubChem CID 160943862) has the molecular formula C114H126F12N40Pt5 and a molecular weight of 3259.91 g/mol. Its IUPAC name is 4-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(4-(3,4-ditert-butylpyrazol-1-id-5-yl)pyrimidine);4-(4,5-dimethylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-(5-methylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;pentakis(platinum(2+)).

Molecular Properties

Compound Name4-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(4-(3,4-ditert-butylpyrazol-1-id-5-yl)pyrimidine);4-(4,5-dimethylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-(5-methylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;pentakis(platinum(2+))
PubChem CID160943862
Molecular FormulaC114H126F12N40Pt5
Molecular Weight3259.91 g/mol
Exact Mass3257.91
IUPAC Name4-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(4-(3,4-ditert-butylpyrazol-1-id-5-yl)pyrimidine);4-(4,5-dimethylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-(5-methylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;pentakis(platinum(2+))
SMILESCC(C)(C)c1n[n-]c(-c2ccncn2)c1C(C)(C)C.CC(C)(C)c1n[n-]c(-c2ccncn2)c1C(C)(C)C.CC(C)(C)c1n[n-]c(-c2ccncn2)c1C(F)(F)F.Cc1c(C(C)(C)C)n[n-]c1-c1ccncn1.Cc1c(C(C)(C)C)n[n-]c1-c1ccncn1.Cc1c(C(C)(C)C)n[n-]c1-c1ccncn1.Cc1cc(-c2ccnc(C)n2)[n-]n1.Cc1n[n-]c(-c2ccncn2)c1C.Cc1nccc(-c2cc(C(F)(F)F)n[n-]2)n1.FC(F)(F)c1n[n-]c(-c2ccncn2)c1C(F)(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/2C15H21N4.C12H12F3N4.3C12H15N4.C9H3F6N4.C9H6F3N4.2C9H9N4.5Pt/c2*1-14(2,3)11-12(10-7-8-16-9-17-10)18-19-13(11)15(4,5)6;1-11(2,3)10-8(12(13,14)15)9(18-19-10)7-4-5-16-6-17-7;3*1-8-10(9-5-6-13-7-14-9)15-16-11(8)12(2,3)4;10-8(11,12)5-6(4-1-2-16-3-17-4)18-19-7(5)9(13,14)15;1-5-13-3-2-6(14-5)7-4-8(16-15-7)9(10,11)12;1-6-7(2)12-13-9(6)8-3-4-10-5-11-8;1-6-5-9(13-12-6)8-3-4-10-7(2)11-8;;;;;/h2*7-9H,1-6H3;4-6H,1-3H3;3*5-7H,1-4H3;1-3H;2-4H,1H3;2*3-5H,1-2H3;;;;;/q10*-1;5*+2
InChIKeySUVXTVOWWHZKCN-UHFFFAOYSA-N
XLogP21.87
TPSA527.70 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003259.91
LogP ≤ 521.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 4-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(4-(3,4-ditert-butylpyrazol-1-id-5-yl)pyrimidine);4-(4,5-dimethylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-(5-methylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-[3-(trifluoromethyl)pyrazol-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

Bis(2-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine);bis(2-[4-[4-(1,1,2,2,3,3-hexafluoropropyl)phenyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine);bis(iron(3+));tetraisothiocyanate
CID 139142845
platinum(2+);3-pyridin-4-yl-6-[2-[5-pyridin-4-yl-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine
CID 57739768
(1S)-12,12,20-trimethyl-4-(trifluoromethyl)-5,6,21-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18(23),19,21-undecaene
CID 57913981
(1S)-20-fluoro-12,12-dimethyl-4-(trifluoromethyl)-5,6,21-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene
CID 57914056
(1S)-19-fluoro-12,12-dimethyl-4,20-bis(trifluoromethyl)-5,6,21-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene
CID 57914168
(1S)-12,12-dimethyl-4,20-bis(trifluoromethyl)-5,6,21-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene
CID 57914172
CID 58510484
CID 58510484
2-[2-Methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58510488
4-Tert-butyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;1-[(2,4-difluorobenzene-6-id-1-yl)methyl]-2-methanidylpyrazol-2-ium;1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole;iridium
CID 58567840
2-[Bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]methyl]-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(platinum(2+))
CID 58756128
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);5-(5-pyridin-2-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)-2-(trifluoromethyl)pyridine
CID 58771573
3,5-Dimethyl-1-phenylpyrazole;3,5-dimethyl-2-phenylpyrazol-2-ium-1-ide;iridium;2-[5-[4-(trifluoromethyl)phenyl]-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58855106

Frequently Asked Questions

What is the IUPAC name of 4-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(4-(3,4-ditert-butylpyrazol-1-id-5-yl)pyrimidine);4-(4,5-dimethylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-(5-methylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;pentakis(platinum(2+))?
The IUPAC name of 4-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(4-(3,4-ditert-butylpyrazol-1-id-5-yl)pyrimidine);4-(4,5-dimethylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-(5-methylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;pentakis(platinum(2+)) (CID 160943862) is 4-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(4-(3,4-ditert-butylpyrazol-1-id-5-yl)pyrimidine);4-(4,5-dimethylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-(5-methylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;pentakis(platinum(2+)).
What is the SMILES notation for 4-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(4-(3,4-ditert-butylpyrazol-1-id-5-yl)pyrimidine);4-(4,5-dimethylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-(5-methylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;pentakis(platinum(2+))?
The canonical SMILES for 4-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(4-(3,4-ditert-butylpyrazol-1-id-5-yl)pyrimidine);4-(4,5-dimethylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-(5-methylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;pentakis(platinum(2+)) is CC(C)(C)c1n[n-]c(-c2ccncn2)c1C(C)(C)C.CC(C)(C)c1n[n-]c(-c2ccncn2)c1C(C)(C)C.CC(C)(C)c1n[n-]c(-c2ccncn2)c1C(F)(F)F.Cc1c(C(C)(C)C)n[n-]c1-c1ccncn1.Cc1c(C(C)(C)C)n[n-]c1-c1ccncn1.Cc1c(C(C)(C)C)n[n-]c1-c1ccncn1.Cc1cc(-c2ccnc(C)n2)[n-]n1.Cc1n[n-]c(-c2ccncn2)c1C.Cc1nccc(-c2cc(C(F)(F)F)n[n-]2)n1.FC(F)(F)c1n[n-]c(-c2ccncn2)c1C(F)(F)F.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 4-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(4-(3,4-ditert-butylpyrazol-1-id-5-yl)pyrimidine);4-(4,5-dimethylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-(5-methylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;pentakis(platinum(2+))?
The InChIKey is SUVXTVOWWHZKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H21N4.C12H12F3N4.3C12H15N4.C9H3F6N4.C9H6F3N4.2C9H9N4.5Pt/c2*1-14(2,3)11-12(10-7-8-16-9-17-10)18-19-13(11)15(4,5)6;1-11(2,3)10-8(12(13,14)15)9(18-19-10)7-4-5-16-6-17-7;3*1-8-10(9-5-6-13-7-14-9)15-16-11(8)12(2,3)4;10-8(11,12)5-6(4-1-2-16-3-17-4)18-19-7(5)9(13,14)15;1-5-13-3-2-6(14-5)7-4-8(16-15-7)9(10,11)12;1-6-7(2)12-13-9(6)8-3-4-10-5-11-8;1-6-5-9(13-12-6)8-3-4-10-7(2)11-8;;;;;/h2*7-9H,1-6H3;4-6H,1-3H3;3*5-7H,1-4H3;1-3H;2-4H,1H3;2*3-5H,1-2H3;;;;;/q10*-1;5*+2.
What are the key properties of 4-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(4-(3,4-ditert-butylpyrazol-1-id-5-yl)pyrimidine);4-(4,5-dimethylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-(5-methylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;pentakis(platinum(2+))?
4-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(4-(3,4-ditert-butylpyrazol-1-id-5-yl)pyrimidine);4-(4,5-dimethylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-(5-methylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;pentakis(platinum(2+)) has a molecular weight of 3259.91 g/mol, XLogP of 21.87, 10 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)pyrimidine);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;bis(4-(3,4-ditert-butylpyrazol-1-id-5-yl)pyrimidine);4-(4,5-dimethylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-(5-methylpyrazol-2-id-3-yl)pyrimidine;2-methyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;pentakis(platinum(2+)) is sourced from PubChem (CID 160943862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).