5-[(5-bromo-1-ethylpyrazol-4-yl)-hydroxymethyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile;5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile

C32H24Br2F2I2N10O — CID 164964117

About 5-[(5-bromo-1-ethylpyrazol-4-yl)-hydroxymethyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile;5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile

5-[(5-bromo-1-ethylpyrazol-4-yl)-hydroxymethyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile;5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile (PubChem CID 164964117) has the molecular formula C32H24Br2F2I2N10O and a molecular weight of 1016.22 g/mol. Its IUPAC name is 5-[(5-bromo-1-ethylpyrazol-4-yl)-hydroxymethyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile;5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[(5-bromo-1-ethylpyrazol-4-yl)-hydroxymethyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile;5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile
• PubChem CID: 164964117
• Molecular Formula: C32H24Br2F2I2N10O
• Molecular Weight: 1016.22 g/mol
• Exact Mass: 1013.86
• IUPAC Name: 5-[(5-bromo-1-ethylpyrazol-4-yl)-hydroxymethyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile;5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile
• SMILES: CCn1ncc(C(O)c2cc(C#N)nn2-c2ccc(F)cc2I)c1Br.CCn1ncc(Cc2cc(C#N)nn2-c2ccc(F)cc2I)c1Br
• InChI: InChI=1S/C16H12BrFIN5O.C16H12BrFIN5/c1-2-23-16(17)11(8-21-23)15(25)14-6-10(7-20)22-24(14)13-4-3-9(18)5-12(13)19;1-2-23-16(17)10(9-21-23)5-13-7-12(8-20)22-24(13)15-4-3-11(18)6-14(15)19/h3-6,8,15,25H,2H2,1H3;3-4,6-7,9H,2,5H2,1H3
• InChIKey: CFXCESVRVIDZPX-UHFFFAOYSA-N
• XLogP: 7.61
• TPSA: 139.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1016.22
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-1-ethylpyrazol-4-yl)-hydroxymethyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile;5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile?

The IUPAC name of 5-[(5-bromo-1-ethylpyrazol-4-yl)-hydroxymethyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile;5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile (CID 164964117) is 5-[(5-bromo-1-ethylpyrazol-4-yl)-hydroxymethyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile;5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile.

What is the SMILES notation for 5-[(5-bromo-1-ethylpyrazol-4-yl)-hydroxymethyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile;5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile?

The canonical SMILES for 5-[(5-bromo-1-ethylpyrazol-4-yl)-hydroxymethyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile;5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile is CCn1ncc(C(O)c2cc(C#N)nn2-c2ccc(F)cc2I)c1Br.CCn1ncc(Cc2cc(C#N)nn2-c2ccc(F)cc2I)c1Br.

What is the InChIKey of 5-[(5-bromo-1-ethylpyrazol-4-yl)-hydroxymethyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile;5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile?

The InChIKey is CFXCESVRVIDZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFIN5O.C16H12BrFIN5/c1-2-23-16(17)11(8-21-23)15(25)14-6-10(7-20)22-24(14)13-4-3-9(18)5-12(13)19;1-2-23-16(17)10(9-21-23)5-13-7-12(8-20)22-24(13)15-4-3-11(18)6-14(15)19/h3-6,8,15,25H,2H2,1H3;3-4,6-7,9H,2,5H2,1H3.

What are the key properties of 5-[(5-bromo-1-ethylpyrazol-4-yl)-hydroxymethyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile;5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile?

5-[(5-bromo-1-ethylpyrazol-4-yl)-hydroxymethyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile;5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile has a molecular weight of 1016.22 g/mol, XLogP of 7.61, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-bromo-1-ethylpyrazol-4-yl)-hydroxymethyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile;5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-iodophenyl)pyrazole-3-carbonitrile is sourced from PubChem (CID 164964117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).