4-methoxy-3-[2-(4-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)

C23H22N4O2Pt — CID 58704728

IUPAC4-methoxy-3-[2-(4-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)
SMILESCOc1cn(-c2[c-]cccc2)nc1C(C)(C)c1nn(-c2[c-]cccc2)cc1OC.[Pt+2]
InChIInChI=1S/C23H22N4O2.Pt/c1-23(2,21-19(28-3)15-26(24-21)17-11-7-5-8-12-17)22-20(29-4)16-27(25-22)18-13-9-6-10-14-18;/h5-11,13,15-16H,1-4H3;/q-2;+2
InChIKeyFQOKBJIVUGSYTK-UHFFFAOYSA-N
MW581.53 g/mol
LogP4.00
Rot. Bonds6

About 4-methoxy-3-[2-(4-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)

4-methoxy-3-[2-(4-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+) (PubChem CID 58704728) has the molecular formula C23H22N4O2Pt and a molecular weight of 581.53 g/mol. Its IUPAC name is 4-methoxy-3-[2-(4-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+).

Molecular Properties

Compound Name4-methoxy-3-[2-(4-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)
PubChem CID58704728
Molecular FormulaC23H22N4O2Pt
Molecular Weight581.53 g/mol
Exact Mass581.14
IUPAC Name4-methoxy-3-[2-(4-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)
SMILESCOc1cn(-c2[c-]cccc2)nc1C(C)(C)c1nn(-c2[c-]cccc2)cc1OC.[Pt+2]
InChIInChI=1S/C23H22N4O2.Pt/c1-23(2,21-19(28-3)15-26(24-21)17-11-7-5-8-12-17)22-20(29-4)16-27(25-22)18-13-9-6-10-14-18;/h5-11,13,15-16H,1-4H3;/q-2;+2
InChIKeyFQOKBJIVUGSYTK-UHFFFAOYSA-N
XLogP4.00
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

bis(4-methoxy-1-phenylpyrazol-3-yl)methanone;platinum(2+)
CID 58704875
5-methoxy-3-[2-(5-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)
CID 58704633
3-tert-butyl-2-phenylphenanthro[9,10-c]pyrazole;iridium
CID 21044959
5-tert-butyl-N-(5-tert-butyl-1-phenylpyrazol-3-yl)-N-phenyl-1-phenylpyrazol-3-amine;platinum(2+)
CID 59661053
iridium;1-phenylpyrazole-3-carbaldehyde
CID 155646485
3-[4-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
CID 151912246
4-methoxy-3-(methoxymethyl)-1-phenylpyrazole
CID 174644530
2-(2-methoxyphenyl)pyrazolo[3,4-b]pyridine
CID 70093839
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
3-tert-butyl-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-sulfonamide
CID 42284776
1-benzyl-3-chloro-5-methoxypyridazin-4-one
CID 86686560

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[2-(4-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)?
The IUPAC name of 4-methoxy-3-[2-(4-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+) (CID 58704728) is 4-methoxy-3-[2-(4-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+).
What is the SMILES notation for 4-methoxy-3-[2-(4-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)?
The canonical SMILES for 4-methoxy-3-[2-(4-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+) is COc1cn(-c2[c-]cccc2)nc1C(C)(C)c1nn(-c2[c-]cccc2)cc1OC.[Pt+2].
What is the InChIKey of 4-methoxy-3-[2-(4-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)?
The InChIKey is FQOKBJIVUGSYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2.Pt/c1-23(2,21-19(28-3)15-26(24-21)17-11-7-5-8-12-17)22-20(29-4)16-27(25-22)18-13-9-6-10-14-18;/h5-11,13,15-16H,1-4H3;/q-2;+2.
What are the key properties of 4-methoxy-3-[2-(4-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+)?
4-methoxy-3-[2-(4-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+) has a molecular weight of 581.53 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-(4-methoxy-1-phenylpyrazol-3-yl)propan-2-yl]-1-phenylpyrazole;platinum(2+) is sourced from PubChem (CID 58704728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).