methyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate

C19H16N2O3Se — CID 46193608

IUPACmethyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(C)[se]c23)o1
InChIInChI=1S/C19H16N2O3Se/c1-12-10-14-18(25-12)17(15-8-9-16(24-15)19(22)23-2)20-21(14)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyZEQRYYWLUDGVIX-UHFFFAOYSA-N
MW399.31 g/mol
LogP3.50
Rot. Bonds4

About methyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate

methyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate (PubChem CID 46193608) has the molecular formula C19H16N2O3Se and a molecular weight of 399.31 g/mol. Its IUPAC name is methyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate
PubChem CID46193608
Molecular FormulaC19H16N2O3Se
Molecular Weight399.31 g/mol
Exact Mass400.03
IUPAC Namemethyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(C)[se]c23)o1
InChIInChI=1S/C19H16N2O3Se/c1-12-10-14-18(25-12)17(15-8-9-16(24-15)19(22)23-2)20-21(14)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyZEQRYYWLUDGVIX-UHFFFAOYSA-N
XLogP3.50
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate with MolForge

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Related Compounds

(benzylamino) 5-(1-benzylindazol-3-yl)furan-2-carboxylate
CID 87493475
5-(1-benzylindazol-3-yl)furan-2-carboxylic acid
CID 10925187
1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate
CID 157125189
5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide
CID 11349031
methyl 5-(1,5-dimethylpyrazol-3-yl)furan-2-carboxylate
CID 90869704
1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole
CID 91100368
5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide
CID 22480360
methyl 5-[1-(4-fluorophenyl)selenopheno[3,2-c]pyrazol-3-yl]furan-2-carboxylate
CID 87226290
methyl 3-benzyltriazole-4-carboxylate
CID 12651410
methyl 5-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate
CID 112774346
methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247937
1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole
CID 11024496

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate?
The IUPAC name of methyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate (CID 46193608) is methyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate is COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(C)[se]c23)o1.
What is the InChIKey of methyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate?
The InChIKey is ZEQRYYWLUDGVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3Se/c1-12-10-14-18(25-12)17(15-8-9-16(24-15)19(22)23-2)20-21(14)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of methyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate?
methyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate has a molecular weight of 399.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate is sourced from PubChem (CID 46193608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).