[1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol;4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-iodo-1-methylpyrazole

C24H30I2N8O — CID 165083135

About [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol;4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-iodo-1-methylpyrazole

[1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol;4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-iodo-1-methylpyrazole (PubChem CID 165083135) has the molecular formula C24H30I2N8O and a molecular weight of 700.37 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol;4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-iodo-1-methylpyrazole.

Molecular Properties

• Compound Name: [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol;4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-iodo-1-methylpyrazole
• PubChem CID: 165083135
• Molecular Formula: C24H30I2N8O
• Molecular Weight: 700.37 g/mol
• Exact Mass: 700.06
• IUPAC Name: [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol;4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-iodo-1-methylpyrazole
• SMILES: Cn1cc(C(O)c2cnn(CC3CC3)c2)c(I)n1.Cn1cc(Cc2cnn(CC3CC3)c2)c(I)n1
• InChI: InChI=1S/C12H15IN4O.C12H15IN4/c1-16-7-10(12(13)15-16)11(18)9-4-14-17(6-9)5-8-2-3-8;1-16-8-11(12(13)15-16)4-10-5-14-17(7-10)6-9-2-3-9/h4,6-8,11,18H,2-3,5H2,1H3;5,7-9H,2-4,6H2,1H3
• InChIKey: VLGYSXAIZRRHFO-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 91.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	700.37
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol;4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-iodo-1-methylpyrazole?

The IUPAC name of [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol;4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-iodo-1-methylpyrazole (CID 165083135) is [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol;4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-iodo-1-methylpyrazole.

What is the SMILES notation for [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol;4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-iodo-1-methylpyrazole?

The canonical SMILES for [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol;4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-iodo-1-methylpyrazole is Cn1cc(C(O)c2cnn(CC3CC3)c2)c(I)n1.Cn1cc(Cc2cnn(CC3CC3)c2)c(I)n1.

What is the InChIKey of [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol;4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-iodo-1-methylpyrazole?

The InChIKey is VLGYSXAIZRRHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN4O.C12H15IN4/c1-16-7-10(12(13)15-16)11(18)9-4-14-17(6-9)5-8-2-3-8;1-16-8-11(12(13)15-16)4-10-5-14-17(7-10)6-9-2-3-9/h4,6-8,11,18H,2-3,5H2,1H3;5,7-9H,2-4,6H2,1H3.

What are the key properties of [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol;4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-iodo-1-methylpyrazole?

[1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol;4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-iodo-1-methylpyrazole has a molecular weight of 700.37 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(cyclopropylmethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol;4-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-iodo-1-methylpyrazole is sourced from PubChem (CID 165083135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).