triphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate

C29H25N3O2Sn — CID 141206427

IUPACtriphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCc1nn(-c2ccccn2)c(C)c1C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C11H11N3O2.3C6H5.Sn/c1-7-10(11(15)16)8(2)14(13-7)9-5-3-4-6-12-9;3*1-2-4-6-5-3-1;/h3-6H,1-2H3,(H,15,16);3*1-5H;/q;;;;+1/p-1
InChIKeyPYAFXSCGODCNNZ-UHFFFAOYSA-M
MW566.25 g/mol
LogP3.71
Rot. Bonds6

About triphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate

triphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 141206427) has the molecular formula C29H25N3O2Sn and a molecular weight of 566.25 g/mol. Its IUPAC name is triphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nametriphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate
PubChem CID141206427
Molecular FormulaC29H25N3O2Sn
Molecular Weight566.25 g/mol
Exact Mass567.10
IUPAC Nametriphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCc1nn(-c2ccccn2)c(C)c1C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C11H11N3O2.3C6H5.Sn/c1-7-10(11(15)16)8(2)14(13-7)9-5-3-4-6-12-9;3*1-2-4-6-5-3-1;/h3-6H,1-2H3,(H,15,16);3*1-5H;/q;;;;+1/p-1
InChIKeyPYAFXSCGODCNNZ-UHFFFAOYSA-M
XLogP3.71
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.25
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze triphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate with MolForge

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Related Compounds

(Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one
CID 102202777
5-amino-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 135371375
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 51260305
3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol
CID 97179619
5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 82072302
1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 90507824
N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide
CID 91629292
methyl 5-amino-1-pyridin-2-ylpyrazole-3-carboxylate
CID 86250027
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 60593051
(4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone
CID 22320099
(4-acetamidophenyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 51868857
5-ethyl-3-methyl-1-pyridin-2-ylpyrazol-4-ol
CID 90747187

Frequently Asked Questions

What is the IUPAC name of triphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The IUPAC name of triphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate (CID 141206427) is triphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for triphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for triphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate is Cc1nn(-c2ccccn2)c(C)c1C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The InChIKey is PYAFXSCGODCNNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11N3O2.3C6H5.Sn/c1-7-10(11(15)16)8(2)14(13-7)9-5-3-4-6-12-9;3*1-2-4-6-5-3-1;/h3-6H,1-2H3,(H,15,16);3*1-5H;/q;;;;+1/p-1.
What are the key properties of triphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
triphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 566.25 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 141206427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).