5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole;1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane

C54H73F2IN8O2Sn — CID 165080859

About 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole;1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane

5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole;1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane (PubChem CID 165080859) has the molecular formula C54H73F2IN8O2Sn and a molecular weight of 1149.84 g/mol. Its IUPAC name is 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole;1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane.

Molecular Properties

• Compound Name: 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole;1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane
• PubChem CID: 165080859
• Molecular Formula: C54H73F2IN8O2Sn
• Molecular Weight: 1149.84 g/mol
• Exact Mass: 1150.39
• IUPAC Name: 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole;1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane
• SMILES: C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC(=O)c1cc(F)ccc1-n1nc(C)cc1Cc1cnn(CC2CC2)c1.Cc1cc(Cc2cnn(CC3CC3)c2)n(-c2ccc(F)cc2I)n1
• InChI: InChI=1S/C20H21FN4O.C18H18FIN4.C4H7O.3C4H9.Sn/c1-13-7-18(8-16-10-22-24(12-16)11-15-3-4-15)25(23-13)20-6-5-17(21)9-19(20)14(2)26;1-12-6-16(7-14-9-21-23(11-14)10-13-2-3-13)24(22-12)18-5-4-15(19)8-17(18)20;1-3-5-4-2;3*1-3-4-2;/h5-7,9-10,12,15H,3-4,8,11H2,1-2H3;4-6,8-9,11,13H,2-3,7,10H2,1H3;1,4H2,2H3;3*1,3-4H2,2H3
• InChIKey: VCDOMDDRTXAEBL-UHFFFAOYSA-N
• XLogP: 13.77
• TPSA: 97.58 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1149.84
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole;1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane?

The IUPAC name of 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole;1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane (CID 165080859) is 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole;1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane.

What is the SMILES notation for 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole;1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane?

The canonical SMILES for 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole;1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane is C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC(=O)c1cc(F)ccc1-n1nc(C)cc1Cc1cnn(CC2CC2)c1.Cc1cc(Cc2cnn(CC3CC3)c2)n(-c2ccc(F)cc2I)n1.

What is the InChIKey of 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole;1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane?

The InChIKey is VCDOMDDRTXAEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O.C18H18FIN4.C4H7O.3C4H9.Sn/c1-13-7-18(8-16-10-22-24(12-16)11-15-3-4-15)25(23-13)20-6-5-17(21)9-19(20)14(2)26;1-12-6-16(7-14-9-21-23(11-14)10-13-2-3-13)24(22-12)18-5-4-15(19)8-17(18)20;1-3-5-4-2;3*1-3-4-2;/h5-7,9-10,12,15H,3-4,8,11H2,1-2H3;4-6,8-9,11,13H,2-3,7,10H2,1H3;1,4H2,2H3;3*1,3-4H2,2H3;.

What are the key properties of 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole;1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane?

5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole;1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane has a molecular weight of 1149.84 g/mol, XLogP of 13.77, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-methylpyrazole;1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone;tributyl(1-ethoxyethenyl)stannane is sourced from PubChem (CID 165080859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).