3-[2-(2,6-dimethylphenyl)benzene-6-id-1-yl]-1-methylpyrazole;(Z)-4-hydroxypent-3-en-2-one;platinum

C23H25N2O2Pt- — CID 59661480

IUPAC3-[2-(2,6-dimethylphenyl)benzene-6-id-1-yl]-1-methylpyrazole;(Z)-4-hydroxypent-3-en-2-one;platinum
SMILESCC(=O)/C=C(/C)O.Cc1cccc(C)c1-c1ccc[c-]c1-c1ccn(C)n1.[Pt]
InChIInChI=1S/C18H17N2.C5H8O2.Pt/c1-13-7-6-8-14(2)18(13)16-10-5-4-9-15(16)17-11-12-20(3)19-17;1-4(6)3-5(2)7;/h4-8,10-12H,1-3H3;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyWWBWLXCPWUVHJE-LWFKIUJUSA-N
MW556.54 g/mol
LogP5.21
Rot. Bonds3

About 3-[2-(2,6-dimethylphenyl)benzene-6-id-1-yl]-1-methylpyrazole;(Z)-4-hydroxypent-3-en-2-one;platinum

3-[2-(2,6-dimethylphenyl)benzene-6-id-1-yl]-1-methylpyrazole;(Z)-4-hydroxypent-3-en-2-one;platinum (PubChem CID 59661480) has the molecular formula C23H25N2O2Pt- and a molecular weight of 556.54 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylphenyl)benzene-6-id-1-yl]-1-methylpyrazole;(Z)-4-hydroxypent-3-en-2-one;platinum.

Molecular Properties

Compound Name3-[2-(2,6-dimethylphenyl)benzene-6-id-1-yl]-1-methylpyrazole;(Z)-4-hydroxypent-3-en-2-one;platinum
PubChem CID59661480
Molecular FormulaC23H25N2O2Pt-
Molecular Weight556.54 g/mol
Exact Mass556.16
IUPAC Name3-[2-(2,6-dimethylphenyl)benzene-6-id-1-yl]-1-methylpyrazole;(Z)-4-hydroxypent-3-en-2-one;platinum
SMILESCC(=O)/C=C(/C)O.Cc1cccc(C)c1-c1ccc[c-]c1-c1ccn(C)n1.[Pt]
InChIInChI=1S/C18H17N2.C5H8O2.Pt/c1-13-7-6-8-14(2)18(13)16-10-5-4-9-15(16)17-11-12-20(3)19-17;1-4(6)3-5(2)7;/h4-8,10-12H,1-3H3;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyWWBWLXCPWUVHJE-LWFKIUJUSA-N
XLogP5.21
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.54
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[2-(2,6-dimethylphenyl)benzene-6-id-1-yl]-1-methylpyrazole;(Z)-4-hydroxypent-3-en-2-one;platinum 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

(Z)-4-hydroxypent-3-en-2-one;iridium;1-methyl-3-(3H-naphthalen-3-id-2-yl)pyrazole
CID 59661422
5-(2,6-dimethylphenyl)-2-phenylpyrimidine;bis(4-hydroxypent-3-en-2-one);bis(iridium);5-phenyl-2-phenylpyrimidine
CID 159349162
7,9-bis(2,6-dimethylphenyl)-2,5-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 59358587
(Z)-4-hydroxypent-3-en-2-one;iridium;5-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 59358822
8-[2-[4-(2,6-dimethylphenyl)phenyl]furo[2,3-b]pyridin-6-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155629215
2-(2,6-dimethylphenyl)-5-phenylthieno[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626403
4-(7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaen-6-yl)-9-methyl-3H-carbazol-3-ide;4-hydroxypent-3-en-2-one;iridium
CID 159898463
2-(2-fluorobenzene-6-id-1-yl)-4,6-diphenylquinoline;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155620531
3-(3,5-dimethylbenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)-4H-pyridin-4-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 166512505
8-[2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-c]pyridin-6-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626077
5-(3H-dibenzofuran-3-id-4-yl)-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155629230
2-(2,6-dimethylphenyl)-6-(3-phenylbenzene-6-id-1-yl)furo[3,2-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626171

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylphenyl)benzene-6-id-1-yl]-1-methylpyrazole;(Z)-4-hydroxypent-3-en-2-one;platinum?
The IUPAC name of 3-[2-(2,6-dimethylphenyl)benzene-6-id-1-yl]-1-methylpyrazole;(Z)-4-hydroxypent-3-en-2-one;platinum (CID 59661480) is 3-[2-(2,6-dimethylphenyl)benzene-6-id-1-yl]-1-methylpyrazole;(Z)-4-hydroxypent-3-en-2-one;platinum.
What is the SMILES notation for 3-[2-(2,6-dimethylphenyl)benzene-6-id-1-yl]-1-methylpyrazole;(Z)-4-hydroxypent-3-en-2-one;platinum?
The canonical SMILES for 3-[2-(2,6-dimethylphenyl)benzene-6-id-1-yl]-1-methylpyrazole;(Z)-4-hydroxypent-3-en-2-one;platinum is CC(=O)/C=C(/C)O.Cc1cccc(C)c1-c1ccc[c-]c1-c1ccn(C)n1.[Pt].
What is the InChIKey of 3-[2-(2,6-dimethylphenyl)benzene-6-id-1-yl]-1-methylpyrazole;(Z)-4-hydroxypent-3-en-2-one;platinum?
The InChIKey is WWBWLXCPWUVHJE-LWFKIUJUSA-N. The full InChI is InChI=1S/C18H17N2.C5H8O2.Pt/c1-13-7-6-8-14(2)18(13)16-10-5-4-9-15(16)17-11-12-20(3)19-17;1-4(6)3-5(2)7;/h4-8,10-12H,1-3H3;3,6H,1-2H3;/q-1;;/b;4-3-;.
What are the key properties of 3-[2-(2,6-dimethylphenyl)benzene-6-id-1-yl]-1-methylpyrazole;(Z)-4-hydroxypent-3-en-2-one;platinum?
3-[2-(2,6-dimethylphenyl)benzene-6-id-1-yl]-1-methylpyrazole;(Z)-4-hydroxypent-3-en-2-one;platinum has a molecular weight of 556.54 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylphenyl)benzene-6-id-1-yl]-1-methylpyrazole;(Z)-4-hydroxypent-3-en-2-one;platinum is sourced from PubChem (CID 59661480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).