bis(4-methoxy-1-phenylpyrazol-3-yl)methanone;platinum(2+)

C21H16N4O3Pt — CID 58704875

IUPACbis(4-methoxy-1-phenylpyrazol-3-yl)methanone;platinum(2+)
SMILESCOc1cn(-c2[c-]cccc2)nc1C(=O)c1nn(-c2[c-]cccc2)cc1OC.[Pt+2]
InChIInChI=1S/C21H16N4O3.Pt/c1-27-17-13-24(15-9-5-3-6-10-15)22-19(17)21(26)20-18(28-2)14-25(23-20)16-11-7-4-8-12-16;/h3-9,11,13-14H,1-2H3;/q-2;+2
InChIKeyQPKDJTLESLTDNB-UHFFFAOYSA-N
MW567.46 g/mol
LogP2.90
Rot. Bonds6

About bis(4-methoxy-1-phenylpyrazol-3-yl)methanone;platinum(2+)

bis(4-methoxy-1-phenylpyrazol-3-yl)methanone;platinum(2+) (PubChem CID 58704875) has the molecular formula C21H16N4O3Pt and a molecular weight of 567.46 g/mol. Its IUPAC name is bis(4-methoxy-1-phenylpyrazol-3-yl)methanone;platinum(2+).

Molecular Properties

Compound Namebis(4-methoxy-1-phenylpyrazol-3-yl)methanone;platinum(2+)
PubChem CID58704875
Molecular FormulaC21H16N4O3Pt
Molecular Weight567.46 g/mol
Exact Mass567.09
IUPAC Namebis(4-methoxy-1-phenylpyrazol-3-yl)methanone;platinum(2+)
SMILESCOc1cn(-c2[c-]cccc2)nc1C(=O)c1nn(-c2[c-]cccc2)cc1OC.[Pt+2]
InChIInChI=1S/C21H16N4O3.Pt/c1-27-17-13-24(15-9-5-3-6-10-15)22-19(17)21(26)20-18(28-2)14-25(23-20)16-11-7-4-8-12-16;/h3-9,11,13-14H,1-2H3;/q-2;+2
InChIKeyQPKDJTLESLTDNB-UHFFFAOYSA-N
XLogP2.90
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119234819
(4-bromophenyl) 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 32990131
phenacyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992049
4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229795
methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate
CID 36624024
N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)pyridine-3-carbohydrazide
CID 26721272
4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 55892920
4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158
[2-(4-chlorophenyl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703384
4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 120832216

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxy-1-phenylpyrazol-3-yl)methanone;platinum(2+)?
The IUPAC name of bis(4-methoxy-1-phenylpyrazol-3-yl)methanone;platinum(2+) (CID 58704875) is bis(4-methoxy-1-phenylpyrazol-3-yl)methanone;platinum(2+).
What is the SMILES notation for bis(4-methoxy-1-phenylpyrazol-3-yl)methanone;platinum(2+)?
The canonical SMILES for bis(4-methoxy-1-phenylpyrazol-3-yl)methanone;platinum(2+) is COc1cn(-c2[c-]cccc2)nc1C(=O)c1nn(-c2[c-]cccc2)cc1OC.[Pt+2].
What is the InChIKey of bis(4-methoxy-1-phenylpyrazol-3-yl)methanone;platinum(2+)?
The InChIKey is QPKDJTLESLTDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3.Pt/c1-27-17-13-24(15-9-5-3-6-10-15)22-19(17)21(26)20-18(28-2)14-25(23-20)16-11-7-4-8-12-16;/h3-9,11,13-14H,1-2H3;/q-2;+2.
What are the key properties of bis(4-methoxy-1-phenylpyrazol-3-yl)methanone;platinum(2+)?
bis(4-methoxy-1-phenylpyrazol-3-yl)methanone;platinum(2+) has a molecular weight of 567.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxy-1-phenylpyrazol-3-yl)methanone;platinum(2+) is sourced from PubChem (CID 58704875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).